1-{2-[(6-methylpyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl}-2-phenoxyethan-1-one

• ChemBase ID: 592391
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: N1(C(=O)COc2ccccc2)CC2(CN(Cc3nc(ccc3)C)CC2)CCC1
• Canonical SMILES: Cc1cccc(n1)CN1CCC2(C1)CCCN(C2)C(=O)COc1ccccc1
• InChI: InChI=1S/C23H29N3O2/c1-19-7-5-8-20(24-19)15-25-14-12-23(17-25)11-6-13-26(18-23)22(27)16-28-21-9-3-2-4-10-21/h2-5,7-10H,6,11-18H2,1H3
• InChIKey: OZRZRPSAFWPEQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[(6-methylpyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl}-2-phenoxyethan-1-one
• IUPAC Traditional name: 1-{2-[(6-methylpyridin-2-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl}-2-phenoxyethanone
• Synonyms: 2-[(6-methylpyridin-2-yl)methyl]-7-(phenoxyacetyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.581139
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.09515422
• LogD (pH = 7.4): 1.6397893
• Log P: 2.2013924
• Molar Refractivity: 109.528 cm^3
• Polarizability: 43.00152 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.39
• LOG S: -2.71
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 5