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

• ChemBase ID: 760768
• Molecular Formular: C22H31N3O2
• Molecular Mass: 369.50044
• Monoisotopic Mass: 369.24162725
• SMILES: C12(C(=O)N(CCC3CCCCC3)CCC2)CN(C(=O)c2ncccc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1ccccn1)CCC1CCCCC1
• InChI: InChI=1S/C22H31N3O2/c26-20(19-9-4-5-13-23-19)25-16-12-22(17-25)11-6-14-24(21(22)27)15-10-18-7-2-1-3-8-18/h4-5,9,13,18H,1-3,6-8,10-12,14-17H2
• InChIKey: FNZLEMVNOAKAMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Polarizability: 40.75648 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8722072
• LogD (pH = 7.4): 2.8722231
• Log P: 2.8722234
• Molar Refractivity: 105.4368 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0
• Log P: 2.69
• LOG S: -4.36