5-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]pyridin-2-ol

• ChemBase ID: 768441
• Molecular Formular: C19H29N3O2
• Molecular Mass: 331.45246
• Monoisotopic Mass: 331.22597718
• SMILES: N1(C(=O)c2cnc(cc2)O)CC2(CN(CC(C)(C)C)CCC2)CC1
• Canonical SMILES: Oc1ccc(cn1)C(=O)N1CCC2(C1)CCCN(C2)CC(C)(C)C
• InChI: InChI=1S/C19H29N3O2/c1-18(2,3)12-21-9-4-7-19(13-21)8-10-22(14-19)17(24)15-5-6-16(23)20-11-15/h5-6,11H,4,7-10,12-14H2,1-3H3,(H,20,23)
• InChIKey: MXBPGZFJGNBRMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]pyridin-2-ol
• IUPAC Traditional name: 5-[7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]pyridin-2-ol
• Synonyms: 5-{[7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-2-pyridinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.30969
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.88514155
• LogD (pH = 7.4): 0.35195088
• Log P: 2.2207658
• Molar Refractivity: 95.9912 cm^3
• Polarizability: 36.879734 Å^3
• Polar Surface Area: 56.67 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.88
• LOG S: -3.33
• Polar Surface Area: 56.67 Å^2
• Rotatable Bonds: 3