N-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanamide
| Internal ID | a971ab8b-243d-4136-84e5-c617dbb35d9d |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids and derivatives |
| IUPAC Name | N-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H24N2O3/c1-3-13(2)17(22)19-15-9-10-16(21)20(18(15)23)12-11-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3,(H,19,22) |
| InChI Key | ASALPLLZVFIFMF-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C18H24N2O3 |
| Molecular Weight | 316.40 g/mol |
| Exact Mass | 316.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 66.50 Ų |
| XlogP | 2.30 |
| CHEBI:68121 |
| N-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanamide |
| Q27136613 |
![2D Structure of N-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanamide](https://plantaedb.com/storage/docs/compounds/2023/11/n-26-dioxo-1-2-phenylethylpiperidin-3-yl-2-methylbutanamide.jpg "2D Structure of N-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanamide")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.64% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.69% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.34% | 97.25% |
| CHEMBL4072 | P07858 | Cathepsin B | 92.14% | 93.67% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.64% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.56% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.55% | 90.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.86% | 90.17% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.01% | 95.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.51% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 81.48% | 97.50% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.88% | 98.33% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.31% | 97.64% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Croton cuneatus |
| Croton humilis |
| PubChem | 12304733 |
| LOTUS | LTS0217226 |
| wikiData | Q27136613 |