6-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-1,6-naphthyridin-5-one

• ChemBase ID: 454989
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: c1(=O)n(ccc2c1cccn2)CC(=O)N1CCCCC1
• Canonical SMILES: O=C(N1CCCCC1)Cn1ccc2c(c1=O)cccn2
• InChI: InChI=1S/C15H17N3O2/c19-14(17-8-2-1-3-9-17)11-18-10-6-13-12(15(18)20)5-4-7-16-13/h4-7,10H,1-3,8-9,11H2
• InChIKey: NWUXFTLLESETQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-oxo-2-(piperidin-1-yl)ethyl]-5,6-dihydro-1,6-naphthyridin-5-one
• IUPAC Traditional name: 6-[2-oxo-2-(piperidin-1-yl)ethyl]-1,6-naphthyridin-5-one
• Synonyms: 6-(2-oxo-2-piperidin-1-ylethyl)-1,6-naphthyridin-5(6H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.294464
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5296906
• LogD (pH = 7.4): 0.532616
• Log P: 0.53265345
• Molar Refractivity: 75.5707 cm^3
• Polarizability: 28.434937 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.18
• LOG S: -2.19
• Polar Surface Area: 55.2 Å^2
• Rotatable Bonds: 2