5-(1-cyclopentanecarbonylpiperidin-4-yl)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione

• ChemBase ID: 432379
• Molecular Formular: C26H37FN4O3
• Molecular Mass: 472.5953832
• Monoisotopic Mass: 472.28496928
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)C2CCCC2)CC1)Cc1ccc(F)cc1)CCCN(C)C
• Canonical SMILES: CN(CCCN1C(=O)NC(C1=O)(Cc1ccc(cc1)F)C1CCN(CC1)C(=O)C1CCCC1)C
• InChI: InChI=1S/C26H37FN4O3/c1-29(2)14-5-15-31-24(33)26(28-25(31)34,18-19-8-10-22(27)11-9-19)21-12-16-30(17-13-21)23(32)20-6-3-4-7-20/h8-11,20-21H,3-7,12-18H2,1-2H3,(H,28,34)
• InChIKey: ANCKOJYZBLENFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-cyclopentanecarbonylpiperidin-4-yl)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-(1-cyclopentanecarbonylpiperidin-4-yl)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
• Synonyms: 5-[1-(cyclopentylcarbonyl)-4-piperidinyl]-3-[3-(dimethylamino)propyl]-5-(4-fluorobenzyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.118242
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6444342
• LogD (pH = 7.4): 0.7873455
• Log P: 2.5660264
• Molar Refractivity: 129.2628 cm^3
• Polarizability: 49.80914 Å^3
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.52
• LOG S: -3.81
• Polar Surface Area: 72.96 Å^2
• Rotatable Bonds: 7