| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:54 UTC |
|---|
| Update Date | 2025-03-21 18:39:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00126796 |
|---|
| Frequency | 20.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H25ClN2O2 |
|---|
| Molecular Mass | 396.1605 |
|---|
| SMILES | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCCc3cccnc32)CC1 |
|---|
| InChI Key | UJWCIIGRNPZJDY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | piperidines |
|---|
| Subclass | piperidinecarboxylic acids and derivatives |
|---|
| Direct Parent | piperidinecarboxylic acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaryl chloridesazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinespolyhalopyridines |
|---|
| Substituents | carbonyl grouppolyhalopyridineorganochlorideorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinearyl chloridecarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid estermethylpyridinearyl halidepyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
