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

• ChemBase ID: 439319
• Molecular Formular: C23H34N2O4
• Molecular Mass: 402.52706
• Monoisotopic Mass: 402.25185758
• SMILES: N1(C(=O)COC)CCC(CC1)Oc1ccc(C(=O)NC2CCCCCCC2)cc1
• Canonical SMILES: COCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCCCCCC1
• InChI: InChI=1S/C23H34N2O4/c1-28-17-22(26)25-15-13-21(14-16-25)29-20-11-9-18(10-12-20)23(27)24-19-7-5-3-2-4-6-8-19/h9-12,19,21H,2-8,13-17H2,1H3,(H,24,27)
• InChIKey: IFBWDKJLASRZAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.156937
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6578774
• LogD (pH = 7.4): 2.6578777
• Log P: 2.6578777
• Molar Refractivity: 112.8882 cm^3
• Polarizability: 43.7518 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.19
• LOG S: -4.44
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5