N-[4-(methoxymethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

• ChemBase ID: 129226
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: O=C(CC)N(C1(CCN(CCc2ccccc2)CC1)COC)c1ccccc1
• Canonical SMILES: COCC1(CCN(CC1)CCc1ccccc1)N(c1ccccc1)C(=O)CC
• InChI: InChI=1S/C24H32N2O2/c1-3-23(27)26(22-12-8-5-9-13-22)24(20-28-2)15-18-25(19-16-24)17-14-21-10-6-4-7-11-21/h4-13H,3,14-20H2,1-2H3
• InChIKey: GARXJOUQUSNOGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(methoxymethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
• IUPAC Traditional name: N-[4-(methoxymethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
• Synonyms: R-30490

Database IDs

• CAS Number: 60618-49-7
• PubChem SID: 162223523
• PubChem CID: 124716
• CHEMBL: 609147
• Wikipedia Title: R-30490

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.57124776
• LogD (pH = 7.4): 2.2264926
• Log P: 3.6922917
• Molar Refractivity: 114.4156 cm^3
• Polarizability: 44.654243 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Protein Bound: ?