2-{2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl}pyridine

• ChemBase ID: 684328
• Molecular Formular: C24H26N2O2
• Molecular Mass: 374.47544
• Monoisotopic Mass: 374.19942808
• SMILES: C(=O)(C1CN(CCc2ncccc2)CCC1)c1cc2c(cc(cc2)OC)cc1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(=O)C1CCCN(C1)CCc1ccccn1
• InChI: InChI=1S/C24H26N2O2/c1-28-23-10-9-18-15-20(8-7-19(18)16-23)24(27)21-5-4-13-26(17-21)14-11-22-6-2-3-12-25-22/h2-3,6-10,12,15-16,21H,4-5,11,13-14,17H2,1H3
• InChIKey: HLOQAYIGZFRNFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl}pyridine
• IUPAC Traditional name: 2-{2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl}pyridine
• Synonyms: (6-methoxy-2-naphthyl)[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.425573
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1256758
• LogD (pH = 7.4): 2.9033887
• Log P: 3.8305175
• Molar Refractivity: 111.5794 cm^3
• Polarizability: 44.609035 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.85
• LOG S: -2.91
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6