N-(1-cycloheptylpiperidin-3-yl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 520518
• Molecular Formular: C23H34N4O2
• Molecular Mass: 398.54166
• Monoisotopic Mass: 398.26817635
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NC2CN(C3CCCCCC3)CCC2)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C23H34N4O2/c1-17-10-11-18(15-21(17)27-14-12-24-23(27)29)22(28)25-19-7-6-13-26(16-19)20-8-4-2-3-5-9-20/h10-11,15,19-20H,2-9,12-14,16H2,1H3,(H,24,29)(H,25,28)
• InChIKey: KEBHZHGZNBEUCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-4-methyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.888657
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.23836616
• LogD (pH = 7.4): 1.1440283
• Log P: 3.1094139
• Molar Refractivity: 115.5031 cm^3
• Polarizability: 44.218666 Å^3
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.6
• LOG S: -5.4
• Polar Surface Area: 64.68 Å^2
• Rotatable Bonds: 4