3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]-6-methylpyridin-2-ol

• ChemBase ID: 767210
• Molecular Formular: C23H35N3O2
• Molecular Mass: 385.5429
• Monoisotopic Mass: 385.27292738
• SMILES: c1(C(=O)N2CC3(CN(CCC4CCCCC4)CCC3)CC2)c(nc(cc1)C)O
• Canonical SMILES: Cc1ccc(c(n1)O)C(=O)N1CCC2(C1)CCCN(C2)CCC1CCCCC1
• InChI: InChI=1S/C23H35N3O2/c1-18-8-9-20(21(27)24-18)22(28)26-15-12-23(17-26)11-5-13-25(16-23)14-10-19-6-3-2-4-7-19/h8-9,19H,2-7,10-17H2,1H3,(H,24,27)
• InChIKey: VYOSKZLNOSEWRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]-6-methylpyridin-2-ol
• IUPAC Traditional name: 3-[7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]-6-methylpyridin-2-ol
• Synonyms: 3-{[7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-6-methyl-2-pyridinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.311289
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7306347
• LogD (pH = 7.4): 1.8692052
• Log P: 3.767472
• Molar Refractivity: 112.8634 cm^3
• Polarizability: 43.44306 Å^3
• Polar Surface Area: 56.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.55
• LOG S: -5.76
• Polar Surface Area: 56.67 Å^2
• Rotatable Bonds: 4