N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide

• ChemBase ID: 792733
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: C(=O)(C1CN(CC(=O)NC2CC2)CCC1)c1cc2c(cc(cc2)OC)cc1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(=O)C1CCCN(C1)CC(=O)NC1CC1
• InChI: InChI=1S/C22H26N2O3/c1-27-20-9-6-15-11-17(5-4-16(15)12-20)22(26)18-3-2-10-24(13-18)14-21(25)23-19-7-8-19/h4-6,9,11-12,18-19H,2-3,7-8,10,13-14H2,1H3,(H,23,25)
• InChIKey: IWHJDXWYNWLPOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide
• Synonyms: N-cyclopropyl-2-[3-(6-methoxy-2-naphthoyl)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.351114
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.94091284
• LogD (pH = 7.4): 2.2434108
• Log P: 2.3655133
• Molar Refractivity: 104.9612 cm^3
• Polarizability: 41.944824 Å^3
• Polar Surface Area: 58.64 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: 3.3
• LOG S: -4.69
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6