2-(2-{1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-3-yl}-1H-imidazol-1-yl)acetamide

• ChemBase ID: 743463
• Molecular Formular: C19H24N4O
• Molecular Mass: 324.42006
• Monoisotopic Mass: 324.19501141
• SMILES: c1(n(CC(=O)N)ccn1)C1CN(C/C=C/c2ccccc2)CCC1
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCCN(C1)C/C=C/c1ccccc1
• InChI: InChI=1S/C19H24N4O/c20-18(24)15-23-13-10-21-19(23)17-9-5-12-22(14-17)11-4-8-16-6-2-1-3-7-16/h1-4,6-8,10,13,17H,5,9,11-12,14-15H2,(H2,20,24)/b8-4+
• InChIKey: DGNAGJFKFRFRFE-XBXARRHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-3-yl}-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: 2-(2-{1-[(2E)-3-phenylprop-2-en-1-yl]piperidin-3-yl}imidazol-1-yl)acetamide
• Synonyms: 2-(2-{1-[(2E)-3-phenyl-2-propen-1-yl]-3-piperidinyl}-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.968442
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3689532
• LogD (pH = 7.4): 0.68108684
• Log P: 1.8494793
• Molar Refractivity: 96.7605 cm^3
• Polarizability: 36.915836 Å^3
• Polar Surface Area: 64.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.39
• LOG S: -2.75
• Polar Surface Area: 64.15 Å^2
• Rotatable Bonds: 6