structure of 1-[(4-Fluoro-5-methyl-2-methylsulfonyl)phenyl]piperidine-4-carboxamide

1-[(4-Fluoro-5-methyl-2-methylsulfonyl)phenyl]piperidine-4-carboxamide

CAS No.: 1000339-66-1
M. Wt: 314.376
M. Fa: C14H19FN2O3S
InChI Key: QMKNLAWLBTYYAP-UHFFFAOYSA-N

Names and Identifiers of 1000339-66-1

CAS Number

1000339-66-1

MDL Number

MFCD09264539

IUPAC Name

1-(4-fluoro-5-methyl-2-methylsulfonylphenyl)piperidine-4-carboxamide

InChI

InChI=1S/C14H19FN2O3S/c1-9-7-12(13(8-11(9)15)21(2,19)20)17-5-3-10(4-6-17)14(16)18/h7-8,10H,3-6H2,1-2H3,(H2,16,18)

InChIKey

QMKNLAWLBTYYAP-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(N2CCC(C(N)=O)CC2)=C(S(C)(=O)=O)C=C1F

UNSPSC Code

12352100

Physical and chemical properties of 1000339-66-1

Boiling Point

598.1±50.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Exact Mass

314.110046

Flash Point

315.5±30.1 °C

Index of Refraction

1.559

LogP

0.00

Melting Point

214～217℃

Molecular Formula

C14H19FN2O3S

Molecular Weight

314.376

Vapour Pressure

0.0±1.7 mmHg at 25°C

Safety Information of 1000339-66-1

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1000339-66-1

1-(4-Fluoro-5-methyl-2-(methylsulfonyl)phenyl)piperidine-4-carboxamide has several applications across various fields:

  • Chemistry: Serves as a building block for synthesizing more complex molecules.
  • Biology: Investigated for its role in studying enzyme interactions and receptor binding.
  • Medicine: Explored for potential therapeutic effects, particularly in pain management and inflammation reduction.
  • Industry: Utilized in developing new materials and chemical processes.

Interaction Studies of 1000339-66-1

Research into the interaction profiles of 1-(4-Fluoro-5-methyl-2-(methylsulfonyl)phenyl)piperidine-4-carboxamide suggests that it may bind to specific receptors or enzymes, influencing their activity. These interactions are critical for understanding the compound's pharmacological properties and guiding further development for therapeutic applications.

Biological Activity of 1000339-66-1

The biological activity of 1-(4-Fluoro-5-methyl-2-(methylsulfonyl)phenyl)piperidine-4-carboxamide is linked to its interaction with specific molecular targets, including receptors and enzymes. Preliminary studies suggest potential therapeutic properties, particularly in anti-inflammatory and analgesic contexts. The exact mechanisms may involve modulation of receptor activity or enzyme inhibition.