4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-(3-phenylpropyl)benzamide

• ChemBase ID: 849651
• Molecular Formular: C25H32N2O4
• Molecular Mass: 424.53258
• Monoisotopic Mass: 424.23620751
• SMILES: N1(C(=O)CCOC)CCC(CC1)Oc1ccc(C(=O)NCCCc2ccccc2)cc1
• Canonical SMILES: COCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCCc1ccccc1
• InChI: InChI=1S/C25H32N2O4/c1-30-19-15-24(28)27-17-13-23(14-18-27)31-22-11-9-21(10-12-22)25(29)26-16-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-12,23H,5,8,13-19H2,1H3,(H,26,29)
• InChIKey: DGEBIKJRURDCKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-(3-phenylpropyl)benzamide
• IUPAC Traditional name: 4-{[1-(3-methoxypropanoyl)piperidin-4-yl]oxy}-N-(3-phenylpropyl)benzamide
• Synonyms: 4-{[1-(3-methoxypropanoyl)-4-piperidinyl]oxy}-N-(3-phenylpropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.064193
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6641853
• LogD (pH = 7.4): 2.6641855
• Log P: 2.6641855
• Molar Refractivity: 121.34 cm^3
• Polarizability: 46.699936 Å^3
• Polar Surface Area: 67.87 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: 2.72
• LOG S: -5.52
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 9