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A1BO1

Summary
Name:(3S)-N~1~-[(2-methylphenyl)methyl]piperidine-1,3-dicarboxamide
Formula:C15 H21 N3 O2
Formal charge:0
Formula weight:275.346 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(NCc1ccccc1C)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H21N3O2/c1-11-5-2-3-6-12(11)9-17-15(20)18-8-4-7-13(10-18)14(16)19/h2-3,5-6,13H,4,7-10H2,1H3,(H2,16,19)(H,17,20)/t13-/m0/s1
InChIKeyInChI1.06XDPSLKIUHCZBTI-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385Cc1ccccc1CNC(=O)N2CCC[C@@H](C2)C(N)=O
SMILESCACTVS3.385Cc1ccccc1CNC(=O)N2CCC[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cc1ccccc1CNC(=O)N2CCC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cc1ccccc1CNC(=O)N2CCCC(C2)C(=O)N

248636

PDB entries from 2026-02-04

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