3-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]propanamide

• ChemBase ID: 325854
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C(=O)(C1CN(CCC(=O)N)CCC1)c1cc2c(cc(cc2)OC)cc1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C(=O)C1CCCN(C1)CCC(=O)N
• InChI: InChI=1S/C20H24N2O3/c1-25-18-7-6-14-11-16(5-4-15(14)12-18)20(24)17-3-2-9-22(13-17)10-8-19(21)23/h4-7,11-12,17H,2-3,8-10,13H2,1H3,(H2,21,23)
• InChIKey: YUIQEDKWETWIMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.011217
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9805449
• LogD (pH = 7.4): 0.76666623
• Log P: 1.9132855
• Molar Refractivity: 97.5527 cm^3
• Polarizability: 38.989933 Å^3
• Polar Surface Area: 72.63 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: 1.78
• LOG S: -3.2
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 6