structure of tert-butyl 4'-oxo-3',4'-dihydro-1H,1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxylate

tert-butyl 4'-oxo-3',4'-dihydro-1H,1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxylate

CAS No.: 1000356-55-7
M. Wt: 317.38300
M. Fa: C17H23N3O3
InChI Key: FMGRFCGCYQWSLF-UHFFFAOYSA-N

Names and Identifiers of 1000356-55-7

CAS Number

1000356-55-7

IUPAC Name

tert-butyl 4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-carboxylate

InChI

InChI=1S/C17H23N3O3/c1-16(2,3)23-15(22)20-10-8-17(9-11-20)18-13-7-5-4-6-12(13)14(21)19-17/h4-7,18H,8-11H2,1-3H3,(H,19,21)

InChIKey

FMGRFCGCYQWSLF-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)NC3=CC=CC=C3C(=O)N2

Physical and chemical properties of 1000356-55-7

Exact Mass

317.17400

LogP

2.65540

Molecular Formula

C17H23N3O3

Molecular Weight

317.38300

PSA

74.16000

Applications of 1000356-55-7

tert-Butyl 4'-oxo-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxylate has several applications across various fields:

  • Medicinal Chemistry: It serves as a valuable intermediate in the development of novel pharmaceutical agents.
  • Organic Synthesis: The compound acts as a versatile building block for synthesizing more complex organic molecules.
  • Biological Research: Its unique properties make it useful in studies exploring biological interactions and mechanisms.
  • Material Science: Potential applications in developing new materials with tailored properties are also being explored.

Interaction Studies of 1000356-55-7

Interaction studies of tert-butyl 4'-oxo-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxylate focus on its binding affinity to various molecular targets. These studies may involve:

  • Enzyme Inhibition Assays: To evaluate its role in modulating enzymatic activities.
  • Receptor Binding Studies: To determine its potential as a ligand for specific receptors involved in disease pathways.

Such investigations are critical for understanding the compound's therapeutic potential and mechanisms of action.

Biological Activity of 1000356-55-7

Research indicates that tert-butyl 4'-oxo-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazoline]-1-carboxylate exhibits various biological activities. Preliminary studies suggest potential antimicrobial and anticancer properties, making it a candidate for further pharmacological investigation. Its unique structural features allow for interactions with specific biological targets, which may modulate enzyme activities or cellular pathways.

Retrosynthesis analysis of 1000356-55-7

  • Route#1

    Cas:79099-07-3
    Cas:88-68-6
    Cas:1000356-55-7