Ethyl 1-(6-oxo-1,6-dihydropyridazin-4-yl)piperidine-4-carboxylate
CAS No.:
1000018-23-4
M. Wt:
251.28200
M. Fa:
C12H17N3O3
InChI Key:
LKAKDRBQUGHAAE-UHFFFAOYSA-N
Names and Identifiers of 1000018-23-4
CAS Number |
1000018-23-4 |
|---|---|
IUPAC Name |
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxylate |
InChI |
InChI=1S/C12H17N3O3/c1-2-18-12(17)9-3-5-15(6-4-9)10-7-11(16)14-13-8-10/h7-9H,2-6H2,1H3,(H,14,16) |
InChIKey |
LKAKDRBQUGHAAE-UHFFFAOYSA-N |
Canonical SMILES |
CCOC(=O)C1CCN(CC1)C2=CC(=O)NN=C2 |
Physical and chemical properties of 1000018-23-4
Exact Mass |
251.12700 |
|---|---|
LogP |
0.61440 |
Molecular Formula |
C12H17N3O3 |
Molecular Weight |
251.28200 |
PSA |
75.29000 |
Storage condition |
2-8°C |
Applications of 1000018-23-4
Ethyl 1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxylate has potential applications in:
- Pharmaceutical Research: As a lead compound for developing new drugs targeting various diseases.
- Biochemical Studies: Useful in proteomics and other biological research fields due to its unique structure.
Interaction Studies of 1000018-23-4
- Binding Affinity Assessments: Evaluating how well the compound binds to specific biological targets.
- In Vivo and In Vitro Testing: Understanding the pharmacokinetics and pharmacodynamics through experimental models.
Ethyl 1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxylate shares structural similarities with several other compounds. Here are some notable comparisons:
| Compound Name | CAS Number | Key Features |
|---|---|---|
| Ethyl 1-(5-chloro-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxylate | Not available | Contains chlorine substituent; potential for enhanced biological activity |
| Ethyl 2-(5-methylpyrimidin-2-yl)acetate | Not available | Different heterocyclic structure; used in various synthetic applications |
| Ethyl 2-(5-nitropyrimidin-2-yl)acetate | Not available | Nitro group introduces different reactivity patterns |