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Y2M : Summary
Code ![](/pdbe/static/images/help.png)
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Y2M
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C15 H21 N3 O3
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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291.346 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
N3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3 |
SMILES
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CACTVS |
3.385 |
Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
Canonical SMILES
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CACTVS |
3.385 |
Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCC3CC3 |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H21N3O3/c1-11-2-5-13(21-11)14(19)17-6-8-18(9-7-17)15(20)16-10-12-3-4-12/h2,5,12H,3-4,6-10H2,1H3,(H,16,20) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZXYKAGVWWGHBFN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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42 (21 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2021-01-28
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Last modified at ![](/pdbe/static/images/help.png)
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2021-02-12
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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