5-(1-{[2-(furan-2-yl)phenyl]methyl}piperidin-4-yl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 538290
• Molecular Formular: C20H23N3O3
• Molecular Mass: 353.41492
• Monoisotopic Mass: 353.17394161
• SMILES: N1C(=O)C(NC1=O)(C1CCN(Cc2c(c3occc3)cccc2)CC1)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)C1CCN(CC1)Cc1ccccc1c1ccco1
• InChI: InChI=1S/C20H23N3O3/c1-20(18(24)21-19(25)22-20)15-8-10-23(11-9-15)13-14-5-2-3-6-16(14)17-7-4-12-26-17/h2-7,12,15H,8-11,13H2,1H3,(H2,21,22,24,25)
• InChIKey: CXKCZJIPRJQBOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-{[2-(furan-2-yl)phenyl]methyl}piperidin-4-yl)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-(1-{[2-(furan-2-yl)phenyl]methyl}piperidin-4-yl)-5-methylimidazolidine-2,4-dione
• Synonyms: 5-{1-[2-(2-furyl)benzyl]-4-piperidinyl}-5-methyl-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.206628
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0205181
• LogD (pH = 7.4): 0.62521243
• Log P: 1.866884
• Molar Refractivity: 97.9135 cm^3
• Polarizability: 39.040283 Å^3
• Polar Surface Area: 74.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.16
• LOG S: -3.02
• Polar Surface Area: 74.58 Å^2
• Rotatable Bonds: 4