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A1BRK

Summary
Name:(3S)-1-{[4-(trifluoromethyl)pyridin-3-yl]acetyl}piperidine-3-carboxamide
Formula:C14 H16 F3 N3 O2
Formal charge:0
Formula weight:315.291 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-{[4-(trifluoromethyl)pyridin-3-yl]acetyl}piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-[4-(trifluoromethyl)pyridin-3-yl]ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1cnccc1C(F)(F)F)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C14H16F3N3O2/c15-14(16,17)11-3-4-19-7-10(11)6-12(21)20-5-1-2-9(8-20)13(18)22/h3-4,7,9H,1-2,5-6,8H2,(H2,18,22)/t9-/m0/s1
InChIKeyInChI1.06YLPGSMZMXYJENJ-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cnccc2C(F)(F)F
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cnccc2C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cncc(c1C(F)(F)F)CC(=O)N2CCC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cncc(c1C(F)(F)F)CC(=O)N2CCCC(C2)C(=O)N

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PDB entries from 2026-02-04

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