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A1B18

Summary
Name:(3S)-1-[(1H-indol-6-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-6-yl)methyl]-6-oxopiperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-(1~{H}-indol-6-ylmethyl)-6-oxidanylidene-piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCC(=O)N(Cc2cc3[NH]ccc3cc2)C1
InChIInChI1.06InChI=1S/C15H17N3O2/c16-15(20)12-3-4-14(19)18(9-12)8-10-1-2-11-5-6-17-13(11)7-10/h1-2,5-7,12,17H,3-4,8-9H2,(H2,16,20)/t12-/m0/s1
InChIKeyInChI1.06DJIPBZNZGHFGJT-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCC(=O)N(C1)Cc2ccc3cc[nH]c3c2
SMILESCACTVS3.385NC(=O)[CH]1CCC(=O)N(C1)Cc2ccc3cc[nH]c3c2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(cc2c1cc[nH]2)CN3C[C@H](CCC3=O)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc(cc2c1cc[nH]2)CN3CC(CCC3=O)C(=O)N

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PDB entries from 2026-02-04

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