N-(1-cycloheptylpiperidin-3-yl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 853883
• Molecular Formular: C19H32N4O3
• Molecular Mass: 364.48238
• Monoisotopic Mass: 364.2474409
• SMILES: C1(=O)NC(=O)C(N1CC(=O)NC1CN(C2CCCCCC2)CCC1)(C)C
• Canonical SMILES: O=C(CN1C(=O)NC(=O)C1(C)C)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C19H32N4O3/c1-19(2)17(25)21-18(26)23(19)13-16(24)20-14-8-7-11-22(12-14)15-9-5-3-4-6-10-15/h14-15H,3-13H2,1-2H3,(H,20,24)(H,21,25,26)
• InChIKey: PZUKDXQQGDUESQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-2-(5,5-dimethyl-2,4-dioxo-1-imidazolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.237885
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9896016
• LogD (pH = 7.4): -0.71207565
• Log P: 1.0417565
• Molar Refractivity: 98.799 cm^3
• Polarizability: 38.719208 Å^3
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.01
• LOG S: -3.57
• Polar Surface Area: 81.75 Å^2
• Rotatable Bonds: 4