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A1BQF

Summary
Name:(3S)-1-[(4-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
Formula:C15 H19 Cl N2 O3
Formal charge:0
Formula weight:310.776 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(4-chloro-2-methoxyphenyl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(4-chloranyl-2-methoxy-phenyl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccc(Cl)cc1OC)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H19ClN2O3/c1-21-13-8-12(16)5-4-10(13)7-14(19)18-6-2-3-11(9-18)15(17)20/h4-5,8,11H,2-3,6-7,9H2,1H3,(H2,17,20)/t11-/m0/s1
InChIKeyInChI1.06RXCDGQVWMAQTNG-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385COc1cc(Cl)ccc1CC(=O)N2CCC[C@@H](C2)C(N)=O
SMILESCACTVS3.385COc1cc(Cl)ccc1CC(=O)N2CCC[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1cc(ccc1CC(=O)N2CCC[C@@H](C2)C(=O)N)Cl
SMILESOpenEye OEToolkits3.1.0.0COc1cc(ccc1CC(=O)N2CCCC(C2)C(=O)N)Cl

248636

PDB entries from 2026-02-04

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