2-(5-acetylthiophen-3-yl)-N-(1-cycloheptylpiperidin-3-yl)acetamide

• ChemBase ID: 602639
• Molecular Formular: C20H30N2O2S
• Molecular Mass: 362.5294
• Monoisotopic Mass: 362.20279921
• SMILES: c1(scc(c1)CC(=O)NC1CN(C2CCCCCC2)CCC1)C(=O)C
• Canonical SMILES: O=C(Cc1csc(c1)C(=O)C)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C20H30N2O2S/c1-15(23)19-11-16(14-25-19)12-20(24)21-17-7-6-10-22(13-17)18-8-4-2-3-5-9-18/h11,14,17-18H,2-10,12-13H2,1H3,(H,21,24)
• InChIKey: XZPLOBQWYAWQPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-acetylthiophen-3-yl)-N-(1-cycloheptylpiperidin-3-yl)acetamide
• IUPAC Traditional name: 2-(5-acetylthiophen-3-yl)-N-(1-cycloheptylpiperidin-3-yl)acetamide
• Synonyms: 2-(5-acetyl-3-thienyl)-N-(1-cycloheptyl-3-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.801957
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.11894465
• LogD (pH = 7.4): 1.7827023
• Log P: 3.2263048
• Molar Refractivity: 102.2227 cm^3
• Polarizability: 39.788868 Å^3
• Polar Surface Area: 49.41 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: 3.42
• LOG S: -3.99
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5