8-[(2-aminopyridin-3-yl)methyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 346750
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: N1(C(=O)CC2(C1)CCN(Cc1c(nccc1)N)CC2)CCCc1ccccc1
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)Cc1cccnc1N
• InChI: InChI=1S/C23H30N4O/c24-22-20(9-4-12-25-22)17-26-14-10-23(11-15-26)16-21(28)27(18-23)13-5-8-19-6-2-1-3-7-19/h1-4,6-7,9,12H,5,8,10-11,13-18H2,(H2,24,25)
• InChIKey: CRNJLOPCCHCIEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(2-aminopyridin-3-yl)methyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[(2-aminopyridin-3-yl)methyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(2-amino-3-pyridinyl)methyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.34613732
• LogD (pH = 7.4): 1.4703816
• Log P: 2.3601794
• Molar Refractivity: 113.9874 cm^3
• Polarizability: 43.54755 Å^3
• Polar Surface Area: 62.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.75
• LOG S: -4.31
• Polar Surface Area: 62.46 Å^2
• Rotatable Bonds: 6