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A1B5S

Summary
Name:(1S,2R)-2-methylcyclohexyl (3S)-3-carbamoylpiperidine-1-carboxylate
Formula:C14 H24 N2 O3
Formal charge:0
Formula weight:268.352 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(1S,2R)-2-methylcyclohexyl (3S)-3-carbamoylpiperidine-1-carboxylate
OpenEye OEToolkits3.1.0.0[(1~{R},2~{R})-2-methylcyclohexyl] (3~{S})-3-aminocarbonylpiperidine-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCCN(C1)C(=O)OC1CCCCC1C
InChIInChI1.06InChI=1S/C14H24N2O3/c1-10-5-2-3-7-12(10)19-14(18)16-8-4-6-11(9-16)13(15)17/h10-12H,2-9H2,1H3,(H2,15,17)/t10-,11+,12+/m1/s1
InChIKeyInChI1.06ZAWQXTDATNVLIA-WOPDTQHZSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1CCCC[C@H]1OC(=O)N2CCC[C@@H](C2)C(N)=O
SMILESCACTVS3.385C[CH]1CCCC[CH]1OC(=O)N2CCC[CH](C2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C[C@@H]1CCCC[C@H]1OC(=O)N2CCC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0CC1CCCCC1OC(=O)N2CCCC(C2)C(=O)N

248636

PDB entries from 2026-02-04

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