2-{2-[1-(2-ethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 698777
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C(=O)c2c(OCC)cccc2)CCC1
• Canonical SMILES: CCOc1ccccc1C(=O)N1CCCC(C1)c1nccn1CC(=O)N
• InChI: InChI=1S/C19H24N4O3/c1-2-26-16-8-4-3-7-15(16)19(25)23-10-5-6-14(12-23)18-21-9-11-22(18)13-17(20)24/h3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3,(H2,20,24)
• InChIKey: NYMWMKYKPMEORL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(2-ethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(2-ethoxybenzoyl)piperidin-3-yl]imidazol-1-yl}acetamide
• Synonyms: 2-{2-[1-(2-ethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.368614
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.16581537
• LogD (pH = 7.4): 0.77066964
• Log P: 0.795296
• Molar Refractivity: 97.9828 cm^3
• Polarizability: 37.320892 Å^3
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.12
• LOG S: -3.21
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 6