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A1B4I

Summary
Name:(3S)-1-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
Formula:C13 H15 Cl N2 O2
Formal charge:0
Formula weight:266.723 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(3-chlorophenyl)methyl]-6-oxopiperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[(3-chlorophenyl)methyl]-6-oxidanylidene-piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCC(=O)N(Cc2cc(Cl)ccc2)C1
InChIInChI1.06InChI=1S/C13H15ClN2O2/c14-11-3-1-2-9(6-11)7-16-8-10(13(15)18)4-5-12(16)17/h1-3,6,10H,4-5,7-8H2,(H2,15,18)/t10-/m0/s1
InChIKeyInChI1.06XCIJOFUOZLCWIY-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCC(=O)N(C1)Cc2cccc(Cl)c2
SMILESCACTVS3.385NC(=O)[CH]1CCC(=O)N(C1)Cc2cccc(Cl)c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(cc(c1)Cl)CN2C[C@H](CCC2=O)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc(cc(c1)Cl)CN2CC(CCC2=O)C(=O)N

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PDB entries from 2026-02-04

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