8-(3-fluoropyridine-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 345549
• Molecular Formular: C23H26FN3O2
• Molecular Mass: 395.4698432
• Monoisotopic Mass: 395.20090531
• SMILES: C(=O)(c1c(F)cncc1)N1CCC2(CN(C(=O)C2)CCCc2ccccc2)CC1
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)C(=O)c1ccncc1F
• InChI: InChI=1S/C23H26FN3O2/c24-20-16-25-11-8-19(20)22(29)26-13-9-23(10-14-26)15-21(28)27(17-23)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: XENQJFPRIGIIFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3-fluoropyridine-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(3-fluoropyridine-4-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(3-fluoroisonicotinoyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0939162
• LogD (pH = 7.4): 2.093945
• Log P: 2.0939455
• Molar Refractivity: 109.519 cm^3
• Polarizability: 41.53594 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: 1.39
• LOG S: -3.27
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5