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A1BN0

Summary
Name:(3S)-N~1~-(1-methyl-1H-1,3-benzimidazol-4-yl)piperidine-1,3-dicarboxamide
Formula:C15 H19 N5 O2
Formal charge:0
Formula weight:301.344 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-N~1~-(1-methyl-1H-1,3-benzimidazol-4-yl)piperidine-1,3-dicarboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-~{N}1-(1-methylbenzimidazol-4-yl)piperidine-1,3-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1cccc2n(C)cnc21)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H19N5O2/c1-19-9-17-13-11(5-2-6-12(13)19)18-15(22)20-7-3-4-10(8-20)14(16)21/h2,5-6,9-10H,3-4,7-8H2,1H3,(H2,16,21)(H,18,22)/t10-/m0/s1
InChIKeyInChI1.06NNNNPICOGNGKIS-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385Cn1cnc2c(NC(=O)N3CCC[C@@H](C3)C(N)=O)cccc12
SMILESCACTVS3.385Cn1cnc2c(NC(=O)N3CCC[CH](C3)C(N)=O)cccc12
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cn1cnc2c1cccc2NC(=O)N3CCC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cn1cnc2c1cccc2NC(=O)N3CCCC(C3)C(=O)N

248636

PDB entries from 2026-02-04

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