2-{2-[1-(4-phenoxybutanoyl)piperidin-4-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 707311
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: n1(c(ncc1)C1CCN(C(=O)CCCOc2ccccc2)CC1)CC(=O)N
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCN(CC1)C(=O)CCCOc1ccccc1
• InChI: InChI=1S/C20H26N4O3/c21-18(25)15-24-13-10-22-20(24)16-8-11-23(12-9-16)19(26)7-4-14-27-17-5-2-1-3-6-17/h1-3,5-6,10,13,16H,4,7-9,11-12,14-15H2,(H2,21,25)
• InChIKey: YRISUWGNCRIPQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.609359
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.0149394255
• LogD (pH = 7.4): 0.60253525
• Log P: 0.62865496
• Molar Refractivity: 101.671 cm^3
• Polarizability: 39.371063 Å^3
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.81
• LOG S: -2.59
• Polar Surface Area: 90.45 Å^2
• Rotatable Bonds: 8