| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:09 UTC |
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| Update Date | 2025-03-25 00:51:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H15ClN2O2 |
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| Molecular Mass | 278.0822 |
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| SMILES | CC(=O)N1CCC(Oc2ccc(C#N)cc2Cl)CC1 |
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| InChI Key | KCPULJWHADDJSR-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 | n-acylpiperidines |
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| Direct Parent | n-acylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersaryl chloridesazacyclic compoundsbenzonitrilescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesnitrilesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundstertiary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethernitrilearomatic heteromonocyclic compoundorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundcarbonitrileacetamidearyl chloridechlorobenzeneazacyclecarboxamide groupbenzonitrilearyl haliden-acyl-piperidineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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