2-(methylamino)-N-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide

• ChemBase ID: 331452
• Molecular Formular: C13H19N3O2S
• Molecular Mass: 281.37386
• Monoisotopic Mass: 281.11979786
• SMILES: N1(C(=O)c2sccc2)CC(NC(=O)CNC)CCC1
• Canonical SMILES: CNCC(=O)NC1CCCN(C1)C(=O)c1cccs1
• InChI: InChI=1S/C13H19N3O2S/c1-14-8-12(17)15-10-4-2-6-16(9-10)13(18)11-5-3-7-19-11/h3,5,7,10,14H,2,4,6,8-9H2,1H3,(H,15,17)
• InChIKey: AEGOSWRWUMMBPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(methylamino)-N-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetamide
• Synonyms: 2-(methylamino)-N-[1-(2-thienylcarbonyl)piperidin-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.97889
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7909658
• LogD (pH = 7.4): -1.2342831
• Log P: 0.1799975
• Molar Refractivity: 74.5588 cm^3
• Polarizability: 28.612349 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.48
• LOG S: -2.15
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4