structure of 1-(5-Bromo-2-methyl-4-(methylsulfonyl)phenyl)piperidine-4-carboxamide

1-(5-Bromo-2-methyl-4-(methylsulfonyl)phenyl)piperidine-4-carboxamide

CAS No.: 1000018-34-7
M. Wt: 375.281
M. Fa: C14H19BrN2O3S
InChI Key: GBNWGFUNIFCJNH-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 1000018-34-7

CAS Number

1000018-34-7

MDL Number

MFCD09264559

IUPAC Name

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

InChI

InChI=1S/C14H19BrN2O3S/c1-9-7-13(21(2,19)20)11(15)8-12(9)17-5-3-10(4-6-17)14(16)18/h7-8,10H,3-6H2,1-2H3,(H2,16,18)

InChIKey

GBNWGFUNIFCJNH-UHFFFAOYSA-N

Canonical SMILES

CC1=CC(=C(C=C1N2CCC(CC2)C(=O)N)Br)S(=O)(=O)C

UNSPSC Code

12352100

Physical and chemical properties of 1000018-34-7

Acidity coefficient

16.35±0.20(Predicted)

Boiling Point

638.5±55.0 °C at 760 mmHg

Density

1.5±0.1 g/cm3

Exact Mass

374.029968

Flash Point

339.9±31.5 °C

Index of Refraction

1.590

LogP

0.43

Melting Point

296～298℃

Molecular Formula

C14H19BrN2O3S

Molecular Weight

375.281

Vapour Pressure

0.0±1.9 mmHg at 25°C

Safety Information of 1000018-34-7

Pictograms

Signal Word

 Warning

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

Applications of 1000018-34-7

1-(5-Bromo-2-methyl-4-(methylsulfonyl)phenyl)piperidine-4-carboxamide has several applications in scientific research:

  • Chemistry: It serves as a building block for synthesizing more complex organic molecules.
  • Biology: The compound is being investigated for its interactions with enzymes and receptors, potentially leading to new insights in pharmacology.
  • Medicine: Its therapeutic properties are under exploration, particularly in relation to pain management and inflammation control.

Interaction Studies of 1000018-34-7

The interaction studies involving 1-(5-Bromo-2-methyl-4-(methylsulfonyl)phenyl)piperidine-4-carboxamide focus on its binding mechanisms with specific molecular targets. These studies aim to elucidate how the compound alters the activity of certain receptors or enzymes, which could lead to the development of novel therapeutic agents. The exact pathways and biological effects depend on the context of use and specific targets studied.

Biological Activity of 1000018-34-7

While specific biological activities of 1-(5-Bromo-2-methyl-4-(methylsulfonyl)phenyl)piperidine-4-carboxamide are still under investigation, its structural components suggest potential interactions with biological targets. The presence of the bromine atom may enhance its binding affinity to certain receptors or enzymes through halogen bonding. This compound is being explored for its possible therapeutic properties, including anti-inflammatory and analgesic effects.