N-(4-{1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl}phenyl)acetamide

• ChemBase ID: 425185
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: c1(n(C2CCN(CC2)CC2OCCC2)ccn1)c1ccc(NC(=O)C)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)c1nccn1C1CCN(CC1)CC1CCCO1
• InChI: InChI=1S/C21H28N4O2/c1-16(26)23-18-6-4-17(5-7-18)21-22-10-13-25(21)19-8-11-24(12-9-19)15-20-3-2-14-27-20/h4-7,10,13,19-20H,2-3,8-9,11-12,14-15H2,1H3,(H,23,26)
• InChIKey: DIUXIMNLKVSOHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]imidazol-2-yl}phenyl)acetamide
• Synonyms: N-(4-{1-[1-(tetrahydrofuran-2-ylmethyl)piperidin-4-yl]-1H-imidazol-2-yl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.004818
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.9619983
• LogD (pH = 7.4): -0.039273284
• Log P: 1.7863276
• Molar Refractivity: 117.5799 cm^3
• Polarizability: 41.380978 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.4
• LOG S: -3.08
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 5