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- ChemComp-LX4: 4-cyclopentylcarbonylpiperazin-2-one -

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Basic information

EntryDatabase: PDB chemical components / ID: LX4
NameName: 4-cyclopentylcarbonylpiperazin-2-one

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Chemical information

Composition
Formula: C10H16N2O2 / Number of atoms: 30 / Formula weight: 196.246 / Formal charge: 0
Others

5qq1

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LX4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QQ1
History
Create componentMar 15, 2019
Initial releaseApr 29, 2020
External linksUniChem / ChemSpider / ChEMBL / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C10H16N2O2/c13-9-7-12(6-5-11-9)10(14)8-3-1-2-4-8/h8H,1-7H2,(H,11,13)

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InChIKey

InChI 1.03UOBXMAPJTCMNSY-UHFFFAOYSA-N

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PDB entries

Showing all 2 items

PDB-5qq1:
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000699a

PDB-7fnk:
PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07C12 from the F2X-Universal Library

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