Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1BS4

Summary
Name:(3S)-N~1~-[2-methoxy-3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
Formula:C15 H18 F3 N3 O3
Formal charge:0
Formula weight:345.317 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-N~1~-[2-methoxy-3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-~{N}1-[2-methoxy-3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1cccc(c1OC)C(F)(F)F)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H18F3N3O3/c1-24-12-10(15(16,17)18)5-2-6-11(12)20-14(23)21-7-3-4-9(8-21)13(19)22/h2,5-6,9H,3-4,7-8H2,1H3,(H2,19,22)(H,20,23)/t9-/m0/s1
InChIKeyInChI1.06WZNDKOZCMMEGCM-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385COc1c(NC(=O)N2CCC[C@@H](C2)C(N)=O)cccc1C(F)(F)F
SMILESCACTVS3.385COc1c(NC(=O)N2CCC[CH](C2)C(N)=O)cccc1C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1c(cccc1NC(=O)N2CCC[C@@H](C2)C(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits3.1.0.0COc1c(cccc1NC(=O)N2CCCC(C2)C(=O)N)C(F)(F)F

248636

PDB entries from 2026-02-04

PDB statisticsPDBj update infoContact PDBjnumon