7-{[4-(propan-2-yl)phenyl]methyl}-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 820460
• Molecular Formular: C24H29N3O2
• Molecular Mass: 391.50596
• Monoisotopic Mass: 391.22597718
• SMILES: C12(C(=O)N(Cc3ccc(cc3)C(C)C)CCC2)CN(C(=O)c2cnccc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1cccnc1)Cc1ccc(cc1)C(C)C
• InChI: InChI=1S/C24H29N3O2/c1-18(2)20-8-6-19(7-9-20)16-26-13-4-10-24(23(26)29)11-14-27(17-24)22(28)21-5-3-12-25-15-21/h3,5-9,12,15,18H,4,10-11,13-14,16-17H2,1-2H3
• InChIKey: QSNHXTTWDVLPCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{[4-(propan-2-yl)phenyl]methyl}-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-[(4-isopropylphenyl)methyl]-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(4-isopropylbenzyl)-2-(3-pyridinylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.970015
• LogD (pH = 7.4): 2.9748945
• Log P: 2.9749572
• Molar Refractivity: 114.1892 cm^3
• Polarizability: 43.625107 Å^3
• Polar Surface Area: 53.51 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: 2.67
• LOG S: -4.69
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3