2-(3-phenylpropyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 436533
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: C(=O)(N1CCC2(CN(C(=O)C2)CCCc2ccccc2)CC1)c1cnccc1
• Canonical SMILES: O=C(c1cccnc1)N1CCC2(CC1)CN(C(=O)C2)CCCc1ccccc1
• InChI: InChI=1S/C23H27N3O2/c27-21-16-23(18-26(21)13-5-8-19-6-2-1-3-7-19)10-14-25(15-11-23)22(28)20-9-4-12-24-17-20/h1-4,6-7,9,12,17H,5,8,10-11,13-16,18H2
• InChIKey: IPCKRIXODXFKFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-phenylpropyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-phenylpropyl)-8-(3-pyridinylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9462969
• LogD (pH = 7.4): 1.9511808
• Log P: 1.9512435
• Molar Refractivity: 109.3026 cm^3
• Polarizability: 41.864574 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.87
• LOG S: -3.55
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5