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A1B2H

Summary
Name:(3S)-1-{[2-(trifluoromethyl)phenyl]acetyl}piperidine-3-carboxamide
Formula:C15 H17 F3 N2 O2
Formal charge:0
Formula weight:314.303 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccccc1C(F)(F)F)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H17F3N2O2/c16-15(17,18)12-6-2-1-4-10(12)8-13(21)20-7-3-5-11(9-20)14(19)22/h1-2,4,6,11H,3,5,7-9H2,(H2,19,22)/t11-/m0/s1
InChIKeyInChI1.06QPXHUQPZPULEMO-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccccc2C(F)(F)F
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccccc2C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CC(=O)N2CCCC(C2)C(=O)N)C(F)(F)F

250835

PDB entries from 2026-03-18

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