5-benzyl-5-(1-ethylpiperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 468833
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: N1C(=O)C(NC1=O)(C1CCN(CC1)CC)Cc1ccccc1
• Canonical SMILES: CCN1CCC(CC1)C1(NC(=O)NC1=O)Cc1ccccc1
• InChI: InChI=1S/C17H23N3O2/c1-2-20-10-8-14(9-11-20)17(15(21)18-16(22)19-17)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H2,18,19,21,22)
• InChIKey: CLDGUQDJOOQGGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-5-(1-ethylpiperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-benzyl-5-(1-ethylpiperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 5-benzyl-5-(1-ethyl-4-piperidinyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.224216
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4401201
• LogD (pH = 7.4): 0.20442216
• Log P: 1.435886
• Molar Refractivity: 85.1414 cm^3
• Polarizability: 33.070686 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.35
• LOG S: -2.18
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 3