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

• ChemBase ID: 596262
• Molecular Formular: C21H29N3O2
• Molecular Mass: 355.47386
• Monoisotopic Mass: 355.22597718
• SMILES: C12(C(=O)N(CC3CCCCC3)CCC2)CN(C(=O)c2cnccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CCCCC1)c1cccnc1
• InChI: InChI=1S/C21H29N3O2/c25-19(18-8-4-11-22-14-18)24-13-10-21(16-24)9-5-12-23(20(21)26)15-17-6-2-1-3-7-17/h4,8,11,14,17H,1-3,5-7,9-10,12-13,15-16H2
• InChIKey: HWVSZUVNTJVIRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1148148
• LogD (pH = 7.4): 2.1196954
• Log P: 2.1197581
• Molar Refractivity: 101.1308 cm^3
• Polarizability: 38.91154 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: 2.16
• LOG S: -3.55
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 3