8-[(4-methoxypyridin-2-yl)methyl]-8-azaspiro[4.5]decane-7,9-dione

• ChemBase ID: 577040
• Molecular Formular: C16H20N2O3
• Molecular Mass: 288.3416
• Monoisotopic Mass: 288.14739251
• SMILES: N1(C(=O)CC2(CC1=O)CCCC2)Cc1nccc(c1)OC
• Canonical SMILES: COc1ccnc(c1)CN1C(=O)CC2(CC1=O)CCCC2
• InChI: InChI=1S/C16H20N2O3/c1-21-13-4-7-17-12(8-13)11-18-14(19)9-16(10-15(18)20)5-2-3-6-16/h4,7-8H,2-3,5-6,9-11H2,1H3
• InChIKey: XPUXCPQHBPTVGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(4-methoxypyridin-2-yl)methyl]-8-azaspiro[4.5]decane-7,9-dione
• IUPAC Traditional name: 8-[(4-methoxypyridin-2-yl)methyl]-8-azaspiro[4.5]decane-7,9-dione
• Synonyms: 8-[(4-methoxypyridin-2-yl)methyl]-8-azaspiro[4.5]decane-7,9-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8164786
• LogD (pH = 7.4): 1.1122067
• Log P: 1.1178521
• Molar Refractivity: 76.5993 cm^3
• Polarizability: 30.20096 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.42
• LOG S: -3.37
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 3