8-(3-fluoropyridin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 449217
• Molecular Formular: C22H26FN3O
• Molecular Mass: 367.4597432
• Monoisotopic Mass: 367.20599069
• SMILES: N1(C(=O)CC2(C1)CCN(c1c(F)cncc1)CC2)CCCc1ccccc1
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)c1ccncc1F
• InChI: InChI=1S/C22H26FN3O/c23-19-16-24-11-8-20(19)25-13-9-22(10-14-25)15-21(27)26(17-22)12-4-7-18-5-2-1-3-6-18/h1-3,5-6,8,11,16H,4,7,9-10,12-15,17H2
• InChIKey: AJMLMFYRCGZVTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3-fluoropyridin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(3-fluoropyridin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(3-fluoro-4-pyridinyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.224492
• LogD (pH = 7.4): 2.869123
• Log P: 2.903997
• Molar Refractivity: 105.0758 cm^3
• Polarizability: 39.820614 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.69
• LOG S: -5.03
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5