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

• ChemBase ID: 470898
• Molecular Formular: C25H30N2O4
• Molecular Mass: 422.5167
• Monoisotopic Mass: 422.22055745
• SMILES: N1(C(=O)COC)CCC(CC1)Oc1ccc(C(=O)NC2c3c(CCC2)cccc3)cc1
• Canonical SMILES: COCC(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCCc2c1cccc2
• InChI: InChI=1S/C25H30N2O4/c1-30-17-24(28)27-15-13-21(14-16-27)31-20-11-9-19(10-12-20)25(29)26-23-8-4-6-18-5-2-3-7-22(18)23/h2-3,5,7,9-12,21,23H,4,6,8,13-17H2,1H3,(H,26,29)
• InChIKey: XFFYZTIUGKWVPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.138016
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6827357
• LogD (pH = 7.4): 2.682736
• Log P: 2.682736
• Molar Refractivity: 119.4664 cm^3
• Polarizability: 45.893005 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: 2.98
• LOG S: -4.78
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5