2-{2-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 588696
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: C(=O)(c1c(cc(cc1)OC)OC)N1CC(c2n(CC(=O)N)ccn2)CCC1
• Canonical SMILES: COc1cc(OC)ccc1C(=O)N1CCCC(C1)c1nccn1CC(=O)N
• InChI: InChI=1S/C19H24N4O4/c1-26-14-5-6-15(16(10-14)27-2)19(25)23-8-3-4-13(11-23)18-21-7-9-22(18)12-17(20)24/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H2,20,24)
• InChIKey: GTAYWSIPIHMTEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]imidazol-1-yl}acetamide
• Synonyms: 2-{2-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]-1H-imidazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.35855
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.34866387
• LogD (pH = 7.4): 0.2561904
• Log P: 0.28081682
• Molar Refractivity: 99.6974 cm^3
• Polarizability: 38.025112 Å^3
• Polar Surface Area: 99.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.0
• LOG S: -3.23
• Polar Surface Area: 99.68 Å^2
• Rotatable Bonds: 6