3-methoxy-N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide

• ChemBase ID: 435817
• Molecular Formular: C17H22N4O4
• Molecular Mass: 346.38098
• Monoisotopic Mass: 346.1641052
• SMILES: N1(C(=O)N(CC1=O)C)c1cc(NC(=O)N2CC(OC)CCC2)ccc1
• Canonical SMILES: COC1CCCN(C1)C(=O)Nc1cccc(c1)N1C(=O)CN(C1=O)C
• InChI: InChI=1S/C17H22N4O4/c1-19-11-15(22)21(17(19)24)13-6-3-5-12(9-13)18-16(23)20-8-4-7-14(10-20)25-2/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3,(H,18,23)
• InChIKey: WYNCRGCXZDVJBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide
• IUPAC Traditional name: 3-methoxy-N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide
• Synonyms: 3-methoxy-N-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.719808
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.42519608
• LogD (pH = 7.4): 0.42519408
• Log P: 0.4251961
• Molar Refractivity: 92.2049 cm^3
• Polarizability: 34.627346 Å^3
• Polar Surface Area: 82.19 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: -0.84
• LOG S: -2.32
• Polar Surface Area: 82.19 Å^2
• Rotatable Bonds: 3