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A1B34

Summary
Name:(3S)-1-[(1H-indol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
Formula:C15 H17 N3 O2
Formal charge:0
Formula weight:271.314 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(1H-indol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-(1~{H}-indol-4-ylmethyl)-6-oxidanylidene-piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCC(=O)N(Cc2cccc3[NH]ccc23)C1
InChIInChI1.06InChI=1S/C15H17N3O2/c16-15(20)11-4-5-14(19)18(9-11)8-10-2-1-3-13-12(10)6-7-17-13/h1-3,6-7,11,17H,4-5,8-9H2,(H2,16,20)/t11-/m0/s1
InChIKeyInChI1.06ZFXTXOZEQPVJKQ-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCC(=O)N(C1)Cc2cccc3[nH]ccc23
SMILESCACTVS3.385NC(=O)[CH]1CCC(=O)N(C1)Cc2cccc3[nH]ccc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c2cc[nH]c2c1)CN3C[C@H](CCC3=O)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc(c2cc[nH]c2c1)CN3CC(CCC3=O)C(=O)N

248636

PDB entries from 2026-02-04

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