N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide

• ChemBase ID: 419308
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: N1(C(=O)CCCC1)CC(=O)NC(CCn1cncc1)c1ccccc1
• Canonical SMILES: O=C(NC(c1ccccc1)CCn1cncc1)CN1CCCCC1=O
• InChI: InChI=1S/C19H24N4O2/c24-18(14-23-11-5-4-8-19(23)25)21-17(16-6-2-1-3-7-16)9-12-22-13-10-20-15-22/h1-3,6-7,10,13,15,17H,4-5,8-9,11-12,14H2,(H,21,24)
• InChIKey: ZGSPPPRVLLXQME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide
• IUPAC Traditional name: N-[3-(imidazol-1-yl)-1-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide
• Synonyms: N-[3-(1H-imidazol-1-yl)-1-phenylpropyl]-2-(2-oxopiperidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.006087
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.20166162
• LogD (pH = 7.4): 0.66583544
• Log P: 0.734479
• Molar Refractivity: 95.6478 cm^3
• Polarizability: 36.840107 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.01
• LOG S: -2.54
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7