| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:43 UTC |
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| Update Date | 2025-03-21 18:30:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00083092 |
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| Frequency | 34.7 |
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| Structure | |
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| Chemical Formula | C21H22ClN3O2 |
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| Molecular Mass | 383.1401 |
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| SMILES | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3nccnc32)CC1 |
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| InChI Key | OPTUQKJUWIXCNQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | piperidinecarboxylic acids and derivatives |
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| Direct Parent | piperidinecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinespyrazines |
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| Substituents | aryl chloridecarbonyl groupcarbonic acid derivativeazacycleorganochlorideheteroaromatic compoundcarbamic acid esterorganohalogen compoundaryl halideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepiperidinecarboxylic acidbenzenoidorganic nitrogen compoundorganooxygen compound |
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