7-cyclopentyl-2-{[6-(dimethylamino)pyridin-3-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 548671
• Molecular Formular: C21H32N4O
• Molecular Mass: 356.50498
• Monoisotopic Mass: 356.25761166
• SMILES: C1(=O)C2(CN(Cc3cnc(N(C)C)cc3)CC2)CCCN1C1CCCC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1ccc(nc1)N(C)C)C1CCCC1
• InChI: InChI=1S/C21H32N4O/c1-23(2)19-9-8-17(14-22-19)15-24-13-11-21(16-24)10-5-12-25(20(21)26)18-6-3-4-7-18/h8-9,14,18H,3-7,10-13,15-16H2,1-2H3
• InChIKey: UTAZCDCPPYQOFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-{[6-(dimethylamino)pyridin-3-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-{[6-(dimethylamino)pyridin-3-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-{[6-(dimethylamino)pyridin-3-yl]methyl}-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.56227624
• LogD (pH = 7.4): 1.007421
• Log P: 2.7060823
• Molar Refractivity: 106.212 cm^3
• Polarizability: 40.57976 Å^3
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.56
• LOG S: -3.99
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 4