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A1BRN

Summary
Name:(3S)-1-{[2,5-bis(trifluoromethyl)phenyl]acetyl}piperidine-3-carboxamide
Formula:C16 H16 F6 N2 O2
Formal charge:0
Formula weight:382.301 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1cc(ccc1C(F)(F)F)C(F)(F)F)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C16H16F6N2O2/c17-15(18,19)11-3-4-12(16(20,21)22)10(6-11)7-13(25)24-5-1-2-9(8-24)14(23)26/h3-4,6,9H,1-2,5,7-8H2,(H2,23,26)/t9-/m0/s1
InChIKeyInChI1.06STXHBHXJQBAUQV-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cc(ccc2C(F)(F)F)C(F)(F)F
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cc(ccc2C(F)(F)F)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(cc1C(F)(F)F)CC(=O)N2CCC[C@@H](C2)C(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(cc1C(F)(F)F)CC(=O)N2CCCC(C2)C(=O)N)C(F)(F)F

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PDB entries from 2026-08-05

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