1-{4-[2-(pyridin-3-yl)piperidine-1-carbonyl]phenyl}imidazolidine-2,4-dione

• ChemBase ID: 504559
• Molecular Formular: C20H20N4O3
• Molecular Mass: 364.3978
• Monoisotopic Mass: 364.15354052
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)N2C(c3cnccc3)CCCC2)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)N1CCCCC1c1cccnc1
• InChI: InChI=1S/C20H20N4O3/c25-18-13-24(20(27)22-18)16-8-6-14(7-9-16)19(26)23-11-2-1-5-17(23)15-4-3-10-21-12-15/h3-4,6-10,12,17H,1-2,5,11,13H2,(H,22,25,27)
• InChIKey: BNCXFRAMFHHMSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4-[2-(pyridin-3-yl)piperidine-1-carbonyl]phenyl}imidazolidine-2,4-dione
• IUPAC Traditional name: 1-{4-[2-(pyridin-3-yl)piperidine-1-carbonyl]phenyl}imidazolidine-2,4-dione
• Synonyms: 1-{4-[(2-pyridin-3-ylpiperidin-1-yl)carbonyl]phenyl}imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064515
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0776365
• LogD (pH = 7.4): 1.1361915
• Log P: 1.1463404
• Molar Refractivity: 98.8601 cm^3
• Polarizability: 37.55632 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: -0.1
• LOG S: -1.78
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 3