3-{2-oxo-2-[2-(pyridin-2-yl)piperidin-1-yl]ethyl}imidazolidine-2,4-dione

• ChemBase ID: 656757
• Molecular Formular: C15H18N4O3
• Molecular Mass: 302.32842
• Monoisotopic Mass: 302.13789046
• SMILES: N1(C(=O)NCC1=O)CC(=O)N1C(c2ncccc2)CCCC1
• Canonical SMILES: O=C(N1CCCCC1c1ccccn1)CN1C(=O)CNC1=O
• InChI: InChI=1S/C15H18N4O3/c20-13-9-17-15(22)19(13)10-14(21)18-8-4-2-6-12(18)11-5-1-3-7-16-11/h1,3,5,7,12H,2,4,6,8-10H2,(H,17,22)
• InChIKey: VHEWTJRGUXMXRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-oxo-2-[2-(pyridin-2-yl)piperidin-1-yl]ethyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 3-{2-oxo-2-[2-(pyridin-2-yl)piperidin-1-yl]ethyl}imidazolidine-2,4-dione
• Synonyms: 3-{2-oxo-2-[2-(2-pyridinyl)-1-piperidinyl]ethyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.916633
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.47182962
• LogD (pH = 7.4): -0.4577525
• Log P: -0.45755658
• Molar Refractivity: 77.4638 cm^3
• Polarizability: 30.079477 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.5
• LOG S: -0.99
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 3