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

• ChemBase ID: 746046
• Molecular Formular: C25H32N2O3
• Molecular Mass: 408.53318
• Monoisotopic Mass: 408.24129289
• SMILES: N1(CC(NC(=O)CCC(=O)c2ccc(cc2)OC)CCC1)CCCc1ccccc1
• Canonical SMILES: COc1ccc(cc1)C(=O)CCC(=O)NC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C25H32N2O3/c1-30-23-13-11-21(12-14-23)24(28)15-16-25(29)26-22-10-6-18-27(19-22)17-5-9-20-7-3-2-4-8-20/h2-4,7-8,11-14,22H,5-6,9-10,15-19H2,1H3,(H,26,29)
• InChIKey: XLLBKSDTHAAJPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.996157
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.126924
• LogD (pH = 7.4): 2.8863382
• Log P: 3.5567303
• Molar Refractivity: 119.7351 cm^3
• Polarizability: 46.52593 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.55
• LOG S: -4.22
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 9