2-(4-methoxyphenyl)-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide

• ChemBase ID: 475890
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: C(=O)(NC1CN(CCCc2ccccc2)CCC1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC(=O)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C23H30N2O2/c1-27-22-13-11-20(12-14-22)17-23(26)24-21-10-6-16-25(18-21)15-5-9-19-7-3-2-4-8-19/h2-4,7-8,11-14,21H,5-6,9-10,15-18H2,1H3,(H,24,26)
• InChIKey: HHYJKFGAVAGXJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.699354
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7896077
• LogD (pH = 7.4): 2.4962082
• Log P: 3.8119683
• Molar Refractivity: 109.7466 cm^3
• Polarizability: 42.803688 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: -4.25
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7