N-(3-methylphenyl)-3-[1-(3-phenoxypropanoyl)piperidin-4-yl]propanamide

• ChemBase ID: 338720
• Molecular Formular: C24H30N2O3
• Molecular Mass: 394.5066
• Monoisotopic Mass: 394.22564283
• SMILES: N1(C(=O)CCOc2ccccc2)CCC(CC1)CCC(=O)Nc1cc(ccc1)C
• Canonical SMILES: O=C(Nc1cccc(c1)C)CCC1CCN(CC1)C(=O)CCOc1ccccc1
• InChI: InChI=1S/C24H30N2O3/c1-19-6-5-7-21(18-19)25-23(27)11-10-20-12-15-26(16-13-20)24(28)14-17-29-22-8-3-2-4-9-22/h2-9,18,20H,10-17H2,1H3,(H,25,27)
• InChIKey: JYGYVCOXQISIOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.218746
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.824984
• LogD (pH = 7.4): 3.824984
• Log P: 3.824984
• Molar Refractivity: 115.7973 cm^3
• Polarizability: 44.298805 Å^3
• Polar Surface Area: 58.64 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: 3.93
• LOG S: -5.73
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8