7-(cyclohexylmethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 630619
• Molecular Formular: C22H31N3O2
• Molecular Mass: 369.50044
• Monoisotopic Mass: 369.24162725
• SMILES: C12(C(=O)N(CC3CCCCC3)CCC2)CN(C(=O)c2nc(ccc2)C)CC1
• Canonical SMILES: Cc1cccc(n1)C(=O)N1CCC2(C1)CCCN(C2=O)CC1CCCCC1
• InChI: InChI=1S/C22H31N3O2/c1-17-7-5-10-19(23-17)20(26)25-14-12-22(16-25)11-6-13-24(21(22)27)15-18-8-3-2-4-9-18/h5,7,10,18H,2-4,6,8-9,11-16H2,1H3
• InChIKey: LGJXBEBPOPTKID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclohexylmethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclohexylmethyl)-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclohexylmethyl)-2-[(6-methyl-2-pyridinyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6368897
• LogD (pH = 7.4): 2.6369774
• Log P: 2.6369786
• Molar Refractivity: 105.3503 cm^3
• Polarizability: 40.680588 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.66
• LOG S: -4.34
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3