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

• ChemBase ID: 636000
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: N1(CCC(CCC(=O)Nc2cc(OC)ccc2)CC1)CCCc1ccccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)CCC1CCN(CC1)CCCc1ccccc1
• InChI: InChI=1S/C24H32N2O2/c1-28-23-11-5-10-22(19-23)25-24(27)13-12-21-14-17-26(18-15-21)16-6-9-20-7-3-2-4-8-20/h2-5,7-8,10-11,19,21H,6,9,12-18H2,1H3,(H,25,27)
• InChIKey: PJXBWSBPFQWABH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785204
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1875026
• LogD (pH = 7.4): 2.220443
• Log P: 4.630784
• Molar Refractivity: 116.2552 cm^3
• Polarizability: 44.63934 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.75
• LOG S: -5.24
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8