1-{4-[4-(pyridin-4-yl)piperidine-1-carbonyl]phenyl}imidazolidine-2,4-dione

• ChemBase ID: 449362
• Molecular Formular: C20H20N4O3
• Molecular Mass: 364.3978
• Monoisotopic Mass: 364.15354052
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)N2CCC(CC2)c2ccncc2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)N1CC(=O)NC1=O)N1CCC(CC1)c1ccncc1
• InChI: InChI=1S/C20H20N4O3/c25-18-13-24(20(27)22-18)17-3-1-16(2-4-17)19(26)23-11-7-15(8-12-23)14-5-9-21-10-6-14/h1-6,9-10,15H,7-8,11-13H2,(H,22,25,27)
• InChIKey: RRCPSJIZRJCNFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4-[4-(pyridin-4-yl)piperidine-1-carbonyl]phenyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 1-{4-[4-(pyridin-4-yl)piperidine-1-carbonyl]phenyl}imidazolidine-2,4-dione
• Synonyms: 1-(4-{[4-(4-pyridinyl)-1-piperidinyl]carbonyl}phenyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064534
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.66766465
• LogD (pH = 7.4): 0.77201134
• Log P: 0.7829232
• Molar Refractivity: 99.2209 cm^3
• Polarizability: 37.55825 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.13
• LOG S: -1.76
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 3