2-(2-{1-[2-(thiophen-3-yl)acetyl]piperidin-4-yl}-1H-imidazol-1-yl)acetamide

• ChemBase ID: 423197
• Molecular Formular: C16H20N4O2S
• Molecular Mass: 332.4206
• Monoisotopic Mass: 332.1306969
• SMILES: n1(c(ncc1)C1CCN(C(=O)Cc2cscc2)CC1)CC(=O)N
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCN(CC1)C(=O)Cc1cscc1
• InChI: InChI=1S/C16H20N4O2S/c17-14(21)10-20-7-4-18-16(20)13-1-5-19(6-2-13)15(22)9-12-3-8-23-11-12/h3-4,7-8,11,13H,1-2,5-6,9-10H2,(H2,17,21)
• InChIKey: FLUGHCYFIZSBLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-{1-[2-(thiophen-3-yl)acetyl]piperidin-4-yl}-1H-imidazol-1-yl)acetamide
• IUPAC Traditional name: 2-(2-{1-[2-(thiophen-3-yl)acetyl]piperidin-4-yl}imidazol-1-yl)acetamide
• Synonyms: 2-{2-[1-(3-thienylacetyl)-4-piperidinyl]-1H-imidazol-1-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.609359
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.44273505
• LogD (pH = 7.4): 0.1747395
• Log P: 0.20085922
• Molar Refractivity: 88.0822 cm^3
• Polarizability: 33.69301 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: -0.05
• LOG S: -2.89
• Polar Surface Area: 81.22 Å^2
• Rotatable Bonds: 5