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

• ChemBase ID: 512087
• Molecular Formular: C22H24N4O2
• Molecular Mass: 376.45156
• Monoisotopic Mass: 376.18992603
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C(=O)Cc2c3c(ccc2)cccc3)CCC1
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCCN(C1)C(=O)Cc1cccc2c1cccc2
• InChI: InChI=1S/C22H24N4O2/c23-20(27)15-26-12-10-24-22(26)18-8-4-11-25(14-18)21(28)13-17-7-3-6-16-5-1-2-9-19(16)17/h1-3,5-7,9-10,12,18H,4,8,11,13-15H2,(H2,23,27)
• InChIKey: RRNKTYDYLVGOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.694492
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9363187
• LogD (pH = 7.4): 1.5411749
• Log P: 1.5658015
• Molar Refractivity: 107.2726 cm^3
• Polarizability: 42.500603 Å^3
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.55
• LOG S: -3.27
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 5