2-(2-methoxyphenoxy)-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide

• ChemBase ID: 559630
• Molecular Formular: C23H30N2O3
• Molecular Mass: 382.4959
• Monoisotopic Mass: 382.22564283
• SMILES: N1(CC(NC(=O)COc2c(OC)cccc2)CCC1)CCCc1ccccc1
• Canonical SMILES: COc1ccccc1OCC(=O)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C23H30N2O3/c1-27-21-13-5-6-14-22(21)28-18-23(26)24-20-12-8-16-25(17-20)15-7-11-19-9-3-2-4-10-19/h2-6,9-10,13-14,20H,7-8,11-12,15-18H2,1H3,(H,24,26)
• InChIKey: ZSOVWHDZMVBVPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenoxy)-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(2-methoxyphenoxy)-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
• Synonyms: 2-(2-methoxyphenoxy)-N-[1-(3-phenylpropyl)-3-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.113911
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.575663
• LogD (pH = 7.4): 2.316757
• Log P: 3.494532
• Molar Refractivity: 110.9868 cm^3
• Polarizability: 43.467888 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: 4.09
• LOG S: -3.56
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8