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T0J : Summary
Code ![](/pdbe/static/images/help.png)
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T0J
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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~1~-phenylpiperidine-1,4-dicarboxamide
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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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C13 H17 N3 O2
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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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247.293 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 |
C(N1CCC(C(N)=O)CC1)(Nc2ccccc2)=O |
SMILES
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CACTVS |
3.385 |
NC(=O)C1CCN(CC1)C(=O)Nc2ccccc2 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
NC(=O)C1CCN(CC1)C(=O)Nc2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)NC(=O)N2CCC(CC2)C(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C13H17N3O2/c14-12(17)10-6-8-16(9-7-10)13(18)15-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,14,17)(H,15,18) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | OSBGPHZLIBZPGJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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35 (18 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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2020-03-16
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Last modified at ![](/pdbe/static/images/help.png)
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2020-03-20
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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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