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P85

Summary
Name:N-[(4-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
Formula:C25 H27 F N2 O
Formal charge:0
Formula weight:390.493 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(4-fluorobenzyl)-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide
OpenEye OEToolkits1.9.2N-[(4-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(cc1)CNC(=O)C4CCN(C(c3c2ccccc2ccc3)C)CC4
InChIInChI1.03InChI=1S/C25H27FN2O/c1-18(23-8-4-6-20-5-2-3-7-24(20)23)28-15-13-21(14-16-28)25(29)27-17-19-9-11-22(26)12-10-19/h2-12,18,21H,13-17H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyInChI1.03VTAUBQMDNJOEAK-GOSISDBHSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](N1CC[C@@H](CC1)C(=O)NCc2ccc(F)cc2)c3cccc4ccccc34
SMILESCACTVS3.385C[CH](N1CC[CH](CC1)C(=O)NCc2ccc(F)cc2)c3cccc4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F
SMILESOpenEye OEToolkits1.9.2CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F

218500

PDB entries from 2024-04-17

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