2-cyclopentyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 351883
• Molecular Formular: C20H27FN2O
• Molecular Mass: 330.4395832
• Monoisotopic Mass: 330.21074171
• SMILES: C12(C(=O)N(Cc3c(F)cccc3)CCC2)CN(CC1)C1CCCC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C1CCCC1)Cc1ccccc1F
• InChI: InChI=1S/C20H27FN2O/c21-18-9-4-1-6-16(18)14-22-12-5-10-20(19(22)24)11-13-23(15-20)17-7-2-3-8-17/h1,4,6,9,17H,2-3,5,7-8,10-15H2
• InChIKey: RCEBQBSJLHDSMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-cyclopentyl-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-cyclopentyl-7-(2-fluorobenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.12753952
• LogD (pH = 7.4): 0.31437936
• Log P: 3.3639555
• Molar Refractivity: 93.8432 cm^3
• Polarizability: 36.305305 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.22
• LOG S: -3.2
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 3