N-(4-methoxy-2-methylphenyl)-3-[1-(3-phenylpropyl)piperidin-3-yl]propanamide

• ChemBase ID: 793783
• Molecular Formular: C25H34N2O2
• Molecular Mass: 394.54966
• Monoisotopic Mass: 394.26202834
• SMILES: N(c1c(cc(cc1)OC)C)C(=O)CCC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: COc1ccc(c(c1)C)NC(=O)CCC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C25H34N2O2/c1-20-18-23(29-2)13-14-24(20)26-25(28)15-12-22-11-7-17-27(19-22)16-6-10-21-8-4-3-5-9-21/h3-5,8-9,13-14,18,22H,6-7,10-12,15-17,19H2,1-2H3,(H,26,28)
• InChIKey: GSVAJSBTMNMUKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.988186
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8142034
• LogD (pH = 7.4): 3.020817
• Log P: 5.222159
• Molar Refractivity: 121.2194 cm^3
• Polarizability: 46.40547 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.6
• LOG S: -5.65
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8