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A1BR0

Summary
Name:(3S)-1-[(2,3-dichlorophenyl)acetyl]piperidine-3-carboxamide
Formula:C14 H16 Cl2 N2 O2
Formal charge:0
Formula weight:315.195 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2,3-dichlorophenyl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-[2,3-bis(chloranyl)phenyl]ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1cccc(Cl)c1Cl)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C14H16Cl2N2O2/c15-11-5-1-3-9(13(11)16)7-12(19)18-6-2-4-10(8-18)14(17)20/h1,3,5,10H,2,4,6-8H2,(H2,17,20)/t10-/m0/s1
InChIKeyInChI1.06TXWPVJKFUSGQMQ-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc(Cl)c2Cl
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc(Cl)c2Cl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(c(c1)Cl)Cl)CC(=O)N2CCC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(c(c1)Cl)Cl)CC(=O)N2CCCC(C2)C(=O)N

248636

PDB entries from 2026-02-04

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