structure of Tert-butyl n-{4-[2-oxo-2-(piperazin-1-yl)ethyl]phenyl}carbamate

Tert-butyl n-{4-[2-oxo-2-(piperazin-1-yl)ethyl]phenyl}carbamate

CAS No.: 1000934-11-1
M. Wt: 319.39900
M. Fa: C17H25N3O3
InChI Key: KTORFHRWACLQAG-UHFFFAOYSA-N

Names and Identifiers of 1000934-11-1

CAS Number

1000934-11-1

MDL Number

MFCD09802227

IUPAC Name

tert-butyl N-{4-[2-oxo-2-(piperazin-1-yl)ethyl]phenyl}carbamate

InChI

InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-14-6-4-13(5-7-14)12-15(21)20-10-8-18-9-11-20/h4-7,18H,8-12H2,1-3H3,(H,19,22)

InChIKey

KTORFHRWACLQAG-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)NC1=CC=C(CC(=O)N2CCNCC2)C=C1

UNSPSC Code

12352100

Physical and chemical properties of 1000934-11-1

Exact Mass

319.19000

H Bond Acceptors

4

H Bond Donors

2

LogP

2.34760

Molecular Formula

C17H25N3O3

Molecular Weight

319.39900

PSA

70.67000

Safety Information of 1000934-11-1

Pictograms

Signal Word

 Warning

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

Applications of 1000934-11-1

Tert-butyl N-{4-[2-oxo-2-(piperazin-1-yl)ethyl]phenyl}carbamate has several potential applications:

  • Pharmaceutical Development: Its biological activity makes it a candidate for drug development, particularly in oncology and psychiatry.
  • Chemical Research: As a versatile building block, it can be used in the synthesis of more complex molecules for research purposes.
  • Agricultural Chemistry: If found to possess antimicrobial properties, it could be explored as a pesticide or herbicide.

These applications underscore its significance in both medicinal and industrial chemistry.

Interaction Studies of 1000934-11-1

Interaction studies involving tert-butyl N-{4-[2-oxo-2-(piperazin-1-yl)ethyl]phenyl}carbamate focus on its binding affinity to various biological targets:

  • Enzyme Inhibition: Investigations into its role as an inhibitor of specific enzymes related to cancer proliferation or neurotransmitter regulation.
  • Receptor Binding: Studies examining its interaction with receptors involved in mood regulation or pain perception.
  • Cell Line Studies: Evaluating its effects on different cancer cell lines to determine cytotoxicity and mechanism of action.

These studies are essential for assessing the therapeutic viability of the compound.

Biological Activity of 1000934-11-1

Tert-butyl N-{4-[2-oxo-2-(piperazin-1-yl)ethyl]phenyl}carbamate has shown promise in various biological assays. Preliminary studies indicate that it may possess:

  • Antitumor Activity: Compounds containing piperazine moieties often exhibit cytotoxic effects against cancer cell lines.
  • Antidepressant Effects: Some derivatives of piperazine are known to interact with neurotransmitter systems, suggesting potential antidepressant properties.
  • Antimicrobial Properties: The structural features may contribute to antibacterial or antifungal activities.

Further research is necessary to fully elucidate its mechanism of action and therapeutic potential.

Retrosynthesis analysis of 1000934-11-1

  • Route#1

    Cas:110-85-0
    Cas:1000934-11-1