5-benzyl-5-{1-[1-(morpholin-4-yl)cyclohexanecarbonyl]piperidin-4-yl}imidazolidine-2,4-dione

• ChemBase ID: 484848
• Molecular Formular: C26H36N4O4
• Molecular Mass: 468.58844
• Monoisotopic Mass: 468.27365565
• SMILES: N1C(=O)C(NC1=O)(C1CCN(C(=O)C2(N3CCOCC3)CCCCC2)CC1)Cc1ccccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccccc1)C1CCN(CC1)C(=O)C1(CCCCC1)N1CCOCC1
• InChI: InChI=1S/C26H36N4O4/c31-22-26(28-24(33)27-22,19-20-7-3-1-4-8-20)21-9-13-29(14-10-21)23(32)25(11-5-2-6-12-25)30-15-17-34-18-16-30/h1,3-4,7-8,21H,2,5-6,9-19H2,(H2,27,28,31,33)
• InChIKey: PAYXRXHHORUYMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-5-{1-[1-(morpholin-4-yl)cyclohexanecarbonyl]piperidin-4-yl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-benzyl-5-{1-[1-(morpholin-4-yl)cyclohexanecarbonyl]piperidin-4-yl}imidazolidine-2,4-dione
• Synonyms: 5-benzyl-5-(1-{[1-(4-morpholinyl)cyclohexyl]carbonyl}-4-piperidinyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.175969
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.73929256
• LogD (pH = 7.4): 2.1142128
• Log P: 2.265545
• Molar Refractivity: 128.2215 cm^3
• Polarizability: 50.107758 Å^3
• Polar Surface Area: 90.98 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: 2.06
• LOG S: -2.68
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 5