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

• ChemBase ID: 843486
• Molecular Formular: C17H24FN3O2
• Molecular Mass: 321.3897632
• Monoisotopic Mass: 321.18525524
• SMILES: N1(C(=O)CC2(C1)CCN(c1c(F)cncc1)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)c1ccncc1F
• InChI: InChI=1S/C17H24FN3O2/c1-23-10-2-7-21-13-17(11-16(21)22)4-8-20(9-5-17)15-3-6-19-12-14(15)18/h3,6,12H,2,4-5,7-11,13H2,1H3
• InChIKey: ONRVRRNNMNQGNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.22022672
• LogD (pH = 7.4): 0.42440423
• Log P: 0.4592781
• Molar Refractivity: 87.0161 cm^3
• Polarizability: 32.811756 Å^3
• Polar Surface Area: 45.67 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: 1.3
• LOG S: -2.65
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5