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

• ChemBase ID: 549445
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C(=O)COCc2ccccc2)CCC1
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCCN(C1)C(=O)COCc1ccccc1
• InChI: InChI=1S/C19H24N4O3/c20-17(24)12-23-10-8-21-19(23)16-7-4-9-22(11-16)18(25)14-26-13-15-5-2-1-3-6-15/h1-3,5-6,8,10,16H,4,7,9,11-14H2,(H2,20,24)
• InChIKey: DMVSUJXXPYFHFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 15.621932
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3371462
• LogD (pH = 7.4): 0.26770985
• Log P: 0.2923365
• Molar Refractivity: 97.1665 cm^3
• Polarizability: 37.544178 Å^3
• Polar Surface Area: 90.45 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 1
• Log P: 0.66
• LOG S: -2.36
• Polar Surface Area: 90.45 Å^2