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A1AQ2

Summary
Name:N-{[3-(hydroxymethyl)phenyl]methyl}-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Formula:C24 H32 N2 O2
Formal charge:0
Formula weight:380.523 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{[3-(hydroxymethyl)phenyl]methyl}-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
OpenEye OEToolkits2.0.7~{N}-[[3-(hydroxymethyl)phenyl]methyl]-~{N}-[1-(2-phenylethyl)piperidin-4-yl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCC(=O)N(Cc1cccc(CO)c1)C1CCN(CCc2ccccc2)CC1
InChIInChI1.06InChI=1S/C24H32N2O2/c1-2-24(28)26(18-21-9-6-10-22(17-21)19-27)23-12-15-25(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23,27H,2,11-16,18-19H2,1H3
InChIKeyInChI1.06BOKVRDQXYXXJGL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC(=O)N(Cc1cccc(CO)c1)C2CCN(CC2)CCc3ccccc3
SMILESCACTVS3.385CCC(=O)N(Cc1cccc(CO)c1)C2CCN(CC2)CCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CCC(=O)N(Cc1cccc(c1)CO)C2CCN(CC2)CCc3ccccc3
SMILESOpenEye OEToolkits2.0.7CCC(=O)N(Cc1cccc(c1)CO)C2CCN(CC2)CCc3ccccc3

247536

PDB entries from 2026-01-14

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