5-(piperidin-4-yl)-5-(pyridin-3-yl)imidazolidine-2,4-dione

• ChemBase ID: 708487
• Molecular Formular: C13H16N4O2
• Molecular Mass: 260.29174
• Monoisotopic Mass: 260.12732577
• SMILES: C1(=O)NC(=O)NC1(c1cnccc1)C1CCNCC1
• Canonical SMILES: O=C1NC(=O)C(N1)(C1CCNCC1)c1cccnc1
• InChI: InChI=1S/C13H16N4O2/c18-11-13(17-12(19)16-11,9-3-6-14-7-4-9)10-2-1-5-15-8-10/h1-2,5,8-9,14H,3-4,6-7H2,(H2,16,17,18,19)
• InChIKey: RQBBGUGRQXEYSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(piperidin-4-yl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(piperidin-4-yl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
• Synonyms: 5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.571475
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.829182
• LogD (pH = 7.4): -3.0986786
• Log P: -1.2936325
• Molar Refractivity: 68.1862 cm^3
• Polarizability: 26.671831 Å^3
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.53
• LOG S: -1.55
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 2