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

• ChemBase ID: 785288
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: N1(C(=O)CC2(C1)CCN(Cc1ncccc1C)CC2)CCCc1ccccc1
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)Cc1ncccc1C
• InChI: InChI=1S/C24H31N3O/c1-20-7-5-13-25-22(20)18-26-15-11-24(12-16-26)17-23(28)27(19-24)14-6-10-21-8-3-2-4-9-21/h2-5,7-9,13H,6,10-12,14-19H2,1H3
• InChIKey: XBQQDOCXDIZASD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polarizability: 44.185234 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.86886406
• LogD (pH = 7.4): 2.6080081
• Log P: 3.189541
• Molar Refractivity: 113.4925 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 0
• Log P: 3.32
• LOG S: -3.49