N-(1-methoxypropan-2-yl)-4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 590754
• Molecular Formular: C24H32N2O3
• Molecular Mass: 396.52248
• Monoisotopic Mass: 396.24129289
• SMILES: C(=O)(NC(COC)C)c1ccc(OC2CCN(CC2)CCc2ccccc2)cc1
• Canonical SMILES: COCC(NC(=O)c1ccc(cc1)OC1CCN(CC1)CCc1ccccc1)C
• InChI: InChI=1S/C24H32N2O3/c1-19(18-28-2)25-24(27)21-8-10-22(11-9-21)29-23-13-16-26(17-14-23)15-12-20-6-4-3-5-7-20/h3-11,19,23H,12-18H2,1-2H3,(H,25,27)
• InChIKey: YIRQSVFARGFWNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methoxypropan-2-yl)-4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-(1-methoxypropan-2-yl)-4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-(2-methoxy-1-methylethyl)-4-{[1-(2-phenylethyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.128884
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.18543567
• LogD (pH = 7.4): 1.8451308
• Log P: 3.2994308
• Molar Refractivity: 116.7773 cm^3
• Polarizability: 45.1031 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.42
• LOG S: -4.83
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8