1,8-dimethyl-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 534688
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: N1(C(=O)N(C2(C1=O)CCN(CC2)C)C)Cc1cnccc1
• Canonical SMILES: CN1CCC2(CC1)C(=O)N(C(=O)N2C)Cc1cccnc1
• InChI: InChI=1S/C15H20N4O2/c1-17-8-5-15(6-9-17)13(20)19(14(21)18(15)2)11-12-4-3-7-16-10-12/h3-4,7,10H,5-6,8-9,11H2,1-2H3
• InChIKey: BRBBRZOCLMKQNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-dimethyl-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 1,8-dimethyl-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• Synonyms: 1,8-dimethyl-3-(3-pyridinylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3495657
• LogD (pH = 7.4): -1.5784045
• Log P: -0.24111436
• Molar Refractivity: 78.7861 cm^3
• Polarizability: 30.343966 Å^3
• Polar Surface Area: 56.75 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: -0.69
• LOG S: -0.85
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 2