5-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]pyridin-2-ol

• ChemBase ID: 609369
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: N1(C(=O)c2cnc(cc2)O)CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: Oc1ccc(cn1)C(=O)N1CCC2(C1)CCCN(C2)CCCc1ccccc1
• InChI: InChI=1S/C23H29N3O2/c27-21-10-9-20(16-24-21)22(28)26-15-12-23(18-26)11-5-14-25(17-23)13-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17-18H2,(H,24,27)
• InChIKey: CFCIKCGDFLVETB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]pyridin-2-ol
• IUPAC Traditional name: 5-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]pyridin-2-ol
• Synonyms: 5-{[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-2-pyridinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.298995
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.008208298
• LogD (pH = 7.4): 1.3499786
• Log P: 3.0894725
• Molar Refractivity: 111.8175 cm^3
• Polarizability: 42.71652 Å^3
• Polar Surface Area: 56.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.35
• LOG S: -4.65
• Polar Surface Area: 56.67 Å^2
• Rotatable Bonds: 5