5-ethyl-5-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 678238
• Molecular Formular: C18H23N3O5
• Molecular Mass: 361.39232
• Monoisotopic Mass: 361.16377085
• SMILES: N1C(=O)C(NC1=O)(C1CCN(C(=O)c2cc(c(cc2)OC)O)CC1)CC
• Canonical SMILES: CCC1(NC(=O)NC1=O)C1CCN(CC1)C(=O)c1ccc(c(c1)O)OC
• InChI: InChI=1S/C18H23N3O5/c1-3-18(16(24)19-17(25)20-18)12-6-8-21(9-7-12)15(23)11-4-5-14(26-2)13(22)10-11/h4-5,10,12,22H,3,6-9H2,1-2H3,(H2,19,20,24,25)
• InChIKey: UAQBNUQDJSMTIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-5-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-ethyl-5-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-ethyl-5-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.21386
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.8241797
• LogD (pH = 7.4): 0.817689
• Log P: 0.82426316
• Molar Refractivity: 93.6836 cm^3
• Polarizability: 35.75853 Å^3
• Polar Surface Area: 107.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 0.63
• LOG S: -2.37
• Polar Surface Area: 107.97 Å^2
• Rotatable Bonds: 4