3-{3,9-diazaspiro[5.6]dodecane-9-carbonyl}pyridin-2-ol

• ChemBase ID: 701583
• Molecular Formular: C16H23N3O2
• Molecular Mass: 289.37272
• Monoisotopic Mass: 289.17902699
• SMILES: C(=O)(c1c(nccc1)O)N1CCC2(CCC1)CCNCC2
• Canonical SMILES: Oc1ncccc1C(=O)N1CCCC2(CC1)CCNCC2
• InChI: InChI=1S/C16H23N3O2/c20-14-13(3-1-8-18-14)15(21)19-11-2-4-16(7-12-19)5-9-17-10-6-16/h1,3,8,17H,2,4-7,9-12H2,(H,18,20)
• InChIKey: OROHJLJCGUNTFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{3,9-diazaspiro[5.6]dodecane-9-carbonyl}pyridin-2-ol
• IUPAC Traditional name: 3-{3,9-diazaspiro[5.6]dodecane-9-carbonyl}pyridin-2-ol
• Synonyms: 3-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)pyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.84543
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4909079
• LogD (pH = 7.4): -0.93619066
• Log P: 1.0753734
• Molar Refractivity: 82.0642 cm^3
• Polarizability: 31.362537 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.17
• LOG S: -2.48
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 1