7-(2-cyclohexylethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 348487
• Molecular Formular: C22H31N3O2
• Molecular Mass: 369.50044
• Monoisotopic Mass: 369.24162725
• SMILES: C12(C(=O)N(CCC3CCCCC3)CCC2)CN(C(=O)c2cnccc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1cccnc1)CCC1CCCCC1
• InChI: InChI=1S/C22H31N3O2/c26-20(19-8-4-12-23-16-19)25-15-11-22(17-25)10-5-13-24(21(22)27)14-9-18-6-2-1-3-7-18/h4,8,12,16,18H,1-3,5-7,9-11,13-15,17H2
• InChIKey: XICPADOUOPAUQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-cyclohexylethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-cyclohexylethyl)-2-(pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-cyclohexylethyl)-2-(3-pyridinylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4814305
• LogD (pH = 7.4): 2.4863105
• Log P: 2.486373
• Molar Refractivity: 105.8088 cm^3
• Polarizability: 40.751522 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: 2.69
• LOG S: -4.09
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4