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

• ChemBase ID: 621009
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C(=O)c2c(OCCC)cccc2)CCC1
• Canonical SMILES: CCCOc1ccccc1C(=O)N1CCCC(C1)c1nccn1CC(=O)N
• InChI: InChI=1S/C20H26N4O3/c1-2-12-27-17-8-4-3-7-16(17)20(26)24-10-5-6-15(13-24)19-22-9-11-23(19)14-18(21)25/h3-4,7-9,11,15H,2,5-6,10,12-14H2,1H3,(H2,21,25)
• InChIKey: CNCKAOAZXJHWGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.368564
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.68833774
• LogD (pH = 7.4): 1.293192
• Log P: 1.3178184
• Molar Refractivity: 102.5068 cm^3
• Polarizability: 39.15724 Å^3
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.65
• LOG S: -2.46
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 7