7-cyclopentyl-2-(5-fluoropyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 698058
• Molecular Formular: C18H24FN3O
• Molecular Mass: 317.4010632
• Monoisotopic Mass: 317.19034062
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(c2ncc(cc2)F)CC1
• Canonical SMILES: Fc1ccc(nc1)N1CCC2(C1)CCCN(C2=O)C1CCCC1
• InChI: InChI=1S/C18H24FN3O/c19-14-6-7-16(20-12-14)21-11-9-18(13-21)8-3-10-22(17(18)23)15-4-1-2-5-15/h6-7,12,15H,1-5,8-11,13H2
• InChIKey: VRTKYUBUADZTFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-(5-fluoropyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-(5-fluoropyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-(5-fluoropyridin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9019017
• LogD (pH = 7.4): 2.907318
• Log P: 2.9073877
• Molar Refractivity: 87.8857 cm^3
• Polarizability: 33.208397 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.42
• LOG S: -3.58
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 2