2-methyl-8-[4-methyl-2-(piperidin-1-yl)pyrimidine-5-carbonyl]-2,8-diazaspiro[4.5]decane

• ChemBase ID: 858157
• Molecular Formular: C20H31N5O
• Molecular Mass: 357.49304
• Monoisotopic Mass: 357.25286064
• SMILES: c1(C(=O)N2CCC3(CN(CC3)C)CC2)c(nc(nc1)N1CCCCC1)C
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)C(=O)c1cnc(nc1C)N1CCCCC1
• InChI: InChI=1S/C20H31N5O/c1-16-17(14-21-19(22-16)25-9-4-3-5-10-25)18(26)24-12-7-20(8-13-24)6-11-23(2)15-20/h14H,3-13,15H2,1-2H3
• InChIKey: OBJBUPOVQNQSOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-8-[4-methyl-2-(piperidin-1-yl)pyrimidine-5-carbonyl]-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-methyl-8-[4-methyl-2-(piperidin-1-yl)pyrimidine-5-carbonyl]-2,8-diazaspiro[4.5]decane
• Synonyms: 2-methyl-8-[(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)carbonyl]-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.8663177
• LogD (pH = 7.4): -0.5471035
• Log P: 1.5081689
• Molar Refractivity: 105.6378 cm^3
• Polarizability: 39.4021 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.79
• LOG S: -3.33
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 2