3-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide

• ChemBase ID: 685886
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: N1(CC(NC(=O)CCc2ccc(cc2)OC)CCC1)CCc1ccccc1
• Canonical SMILES: COc1ccc(cc1)CCC(=O)NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C23H30N2O2/c1-27-22-12-9-20(10-13-22)11-14-23(26)24-21-8-5-16-25(18-21)17-15-19-6-3-2-4-7-19/h2-4,6-7,9-10,12-13,21H,5,8,11,14-18H2,1H3,(H,24,26)
• InChIKey: SVBFZJFTZPMIFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: 3-(4-methoxyphenyl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
• Synonyms: 3-(4-methoxyphenyl)-N-[1-(2-phenylethyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.816673
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.960613
• LogD (pH = 7.4): 2.7165368
• Log P: 3.8119683
• Molar Refractivity: 109.7466 cm^3
• Polarizability: 42.80414 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.09
• LOG S: -4.15
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7