3-(4-fluorobutyl)-5-(piperidin-4-yl)-5-propylimidazolidine-2,4-dione

• ChemBase ID: 677087
• Molecular Formular: C15H26FN3O2
• Molecular Mass: 299.3842432
• Monoisotopic Mass: 299.20090531
• SMILES: N1(C(=O)NC(C1=O)(C1CCNCC1)CCC)CCCCF
• Canonical SMILES: FCCCCN1C(=O)NC(C1=O)(CCC)C1CCNCC1
• InChI: InChI=1S/C15H26FN3O2/c1-2-7-15(12-5-9-17-10-6-12)13(20)19(14(21)18-15)11-4-3-8-16/h12,17H,2-11H2,1H3,(H,18,21)
• InChIKey: GIQJMZVGZYLYJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorobutyl)-5-(piperidin-4-yl)-5-propylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-(4-fluorobutyl)-5-(piperidin-4-yl)-5-propylimidazolidine-2,4-dione
• Synonyms: 3-(4-fluorobutyl)-5-piperidin-4-yl-5-propylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.438694
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9531741
• LogD (pH = 7.4): -1.2831638
• Log P: 1.0683998
• Molar Refractivity: 78.611 cm^3
• Polarizability: 30.585218 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.95
• LOG S: -3.05
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 6