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A1BON

Summary
Name:(3S)-1-{[2-chloro-5-(trifluoromethyl)phenyl]acetyl}piperidine-3-carboxamide
Formula:C15 H16 Cl F3 N2 O2
Formal charge:0
Formula weight:348.748 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1cc(ccc1Cl)C(F)(F)F)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H16ClF3N2O2/c16-12-4-3-11(15(17,18)19)6-10(12)7-13(22)21-5-1-2-9(8-21)14(20)23/h3-4,6,9H,1-2,5,7-8H2,(H2,20,23)/t9-/m0/s1
InChIKeyInChI1.06PQWPTZNVERXTJW-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cc(ccc2Cl)C(F)(F)F
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cc(ccc2Cl)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(cc1C(F)(F)F)CC(=O)N2CCC[C@@H](C2)C(=O)N)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(cc1C(F)(F)F)CC(=O)N2CCCC(C2)C(=O)N)Cl

236620

PDB entries from 2025-05-28

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