Chemical Components in the PDB

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LX4 : Summary

Code

LX4

One-letter code

X

Molecule name

4-cyclopentylcarbonylpiperazin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-cyclopentylcarbonylpiperazin-2-one

Formula

C10 H16 N2 O2

Formal charge

0

Molecular weight

196.246 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C1CN(CCN1)C(=O)C2CCCC2
SMILES OpenEye OEToolkits 2.0.6 C1CCC(C1)C(=O)N2CCNC(=O)C2
Canonical SMILES CACTVS 3.385 O=C1CN(CCN1)C(=O)C2CCCC2
Canonical SMILES OpenEye OEToolkits 2.0.6 C1CCC(C1)C(=O)N2CCNC(=O)C2

IUPAC InChI

InChI=1S/C10H16N2O2/c13-9-7-12(6-5-11-9)10(14)8-3-1-2-4-8/h8H,1-7H2,(H,11,13)

IUPAC InChI key

UOBXMAPJTCMNSY-UHFFFAOYSA-N
LX4

wwPDB Information

Atom count

30 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-03-15

Last modified at

2020-04-24

Status

Released

Obsoleted

Not Assigned