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U1G : Summary

Code

U1G

One-letter code

X

Molecule name

1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one

Systematic names

ProgramVersionName
ACDLabs 12.01 1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one
OpenEye OEToolkits 2.0.7 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]ethanone

Formula

C11 H14 N2 O3

Formal charge

0

Molecular weight

222.24 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N1(CCN(CC1)C(C)=O)C(c2ccco2)=O
SMILES CACTVS 3.385 CC(=O)N1CCN(CC1)C(=O)c2occc2
SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCN(CC1)C(=O)c2ccco2
Canonical SMILES CACTVS 3.385 CC(=O)N1CCN(CC1)C(=O)c2occc2
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N1CCN(CC1)C(=O)c2ccco2

IUPAC InChI

InChI=1S/C11H14N2O3/c1-9(14)12-4-6-13(7-5-12)11(15)10-3-2-8-16-10/h2-3,8H,4-7H2,1H3

IUPAC InChI key

IVYZJWUTDZYPEB-UHFFFAOYSA-N
U1G

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-04-08

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned