7-(oxan-4-yl)-2-(6-oxo-1,6-dihydropyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 834283
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: C12(C(=O)N(C3CCOCC3)CCC2)CN(C(=O)c2c[nH]c(=O)cc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1ccc(=O)[nH]c1)C1CCOCC1
• InChI: InChI=1S/C19H25N3O4/c23-16-3-2-14(12-20-16)17(24)21-9-7-19(13-21)6-1-8-22(18(19)25)15-4-10-26-11-5-15/h2-3,12,15H,1,4-11,13H2,(H,20,23)
• InChIKey: SZVROILPZYRUIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(oxan-4-yl)-2-(6-oxo-1,6-dihydropyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(oxan-4-yl)-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(6-oxo-1,6-dihydro-3-pyridinyl)carbonyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.587152
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.9945857
• LogD (pH = 7.4): -0.9948296
• Log P: -0.99457955
• Molar Refractivity: 96.7485 cm^3
• Polarizability: 36.701015 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.25
• LOG S: -2.06
• Polar Surface Area: 82.71 Å^2
• Rotatable Bonds: 2