3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 719745
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: N1(C(=O)NC(C1=O)(C1CCNCC1)C)Cc1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(cc(c1)OC)CN1C(=O)NC(C1=O)(C)C1CCNCC1
• InChI: InChI=1S/C18H25N3O4/c1-18(13-4-6-19-7-5-13)16(22)21(17(23)20-18)11-12-8-14(24-2)10-15(9-12)25-3/h8-10,13,19H,4-7,11H2,1-3H3,(H,20,23)
• InChIKey: ZHMZMNLZKUAHGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 3-(3,5-dimethoxybenzyl)-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.4039955
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.2894478
• LogD (pH = 7.4): -1.6194538
• Log P: 0.72449374
• Molar Refractivity: 92.9148 cm^3
• Polarizability: 36.29129 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.4
• LOG S: -2.93
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 5