4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-(3-phenylpropyl)benzamide

• ChemBase ID: 501709
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: N1(C(=O)COC)CCC(CC1)Oc1ccc(C(=O)NCCCc2ccccc2)cc1
• Canonical SMILES: COCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCCc1ccccc1
• InChI: InChI=1S/C24H30N2O4/c1-29-18-23(27)26-16-13-22(14-17-26)30-21-11-9-20(10-12-21)24(28)25-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,28)
• InChIKey: VCAXCGZYGYXRQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-(3-phenylpropyl)benzamide
• IUPAC Traditional name: 4-{[1-(2-methoxyacetyl)piperidin-4-yl]oxy}-N-(3-phenylpropyl)benzamide
• Synonyms: 4-{[1-(methoxyacetyl)-4-piperidinyl]oxy}-N-(3-phenylpropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.064186
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4271724
• LogD (pH = 7.4): 2.427173
• Log P: 2.427173
• Molar Refractivity: 116.6406 cm^3
• Polarizability: 44.85936 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.52
• LOG S: -4.9
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8