5-[1-(2-phenylethyl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione

• ChemBase ID: 779202
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: C1(=O)NC(=O)NC1(c1cnccc1)C1CCN(CC1)CCc1ccccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(C1CCN(CC1)CCc1ccccc1)c1cccnc1
• InChI: InChI=1S/C21H24N4O2/c26-19-21(24-20(27)23-19,18-7-4-11-22-15-18)17-9-13-25(14-10-17)12-8-16-5-2-1-3-6-16/h1-7,11,15,17H,8-10,12-14H2,(H2,23,24,26,27)
• InChIKey: QCGMIXLALGKMNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(2-phenylethyl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[1-(2-phenylethyl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione
• Synonyms: 5-[1-(2-phenylethyl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.910806
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.3593298
• LogD (pH = 7.4): 0.2936107
• Log P: 1.4853718
• Molar Refractivity: 102.8485 cm^3
• Polarizability: 39.842873 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.13
• LOG S: -3.68
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 5