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A1BSI

Summary
Name:(3S)-1-{[2-methoxy-5-(trifluoromethyl)phenyl]acetyl}piperidine-3-carboxamide
Formula:C16 H19 F3 N2 O3
Formal charge:0
Formula weight:344.329 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-{[2-methoxy-5-(trifluoromethyl)phenyl]acetyl}piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-[2-methoxy-5-(trifluoromethyl)phenyl]ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1cc(ccc1OC)C(F)(F)F)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C16H19F3N2O3/c1-24-13-5-4-12(16(17,18)19)7-11(13)8-14(22)21-6-2-3-10(9-21)15(20)23/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,20,23)/t10-/m0/s1
InChIKeyInChI1.06PQPPRBLQDZEENG-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1CC(=O)N2CCC[C@@H](C2)C(N)=O)C(F)(F)F
SMILESCACTVS3.385COc1ccc(cc1CC(=O)N2CCC[CH](C2)C(N)=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccc(cc1CC(=O)N2CCC[C@@H](C2)C(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0COc1ccc(cc1CC(=O)N2CCCC(C2)C(=O)N)C(F)(F)F

248942

PDB entries from 2026-02-11

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