(2E)-Piperamide-C5:1

Details

• Internal ID: 51f6b264-eab2-42a3-897e-a51a25f24fb8
• Taxonomy: Organoheterocyclic compounds > Benzodioxoles
• IUPAC Name: (E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpent-2-en-1-one
• SMILES (Canonical): C1CCN(C1)C(=O)C=CCCC2=CC3=C(C=C2)OCO3
• SMILES (Isomeric): C1CCN(C1)C(=O)/C=C/CCC2=CC3=C(C=C2)OCO3
• InChI: InChI=1S/C16H19NO3/c18-16(17-9-3-4-10-17)6-2-1-5-13-7-8-14-15(11-13)20-12-19-14/h2,6-8,11H,1,3-5,9-10,12H2/b6-2+
• InChI Key: XZTCTKKANUDQCW-QHHAFSJGSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₉NO₃
• Molecular Weight: 273.33 g/mol
• Exact Mass: 273.13649347 g/mol
• Topological Polar Surface Area (TPSA): 38.80 Ų
• XlogP: 2.70

Synonyms

• 4,5-Dihydropiperyline
• Piperamide-C5:1 (2E)
• CHEBI:173943
• XZTCTKKANUDQCW-QHHAFSJGSA-N
• DTXSID301318972
• 5-(Methylenedioxyphenyl)-2-pentenoyl pyrrolidide
• (E)-5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpent-2-en-1-one
• (2E)-5-(2H-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)pent-2-en-1-one
• 117137-65-2

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	97.03%	94.45%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	95.97%	96.77%
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	95.81%	83.57%
CHEMBL2581	P07339	Cathepsin D	94.97%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.59%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.89%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.62%	91.11%
CHEMBL4208	P20618	Proteasome component C5	87.12%	90.00%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	85.96%	94.80%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.90%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.03%	90.71%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	83.29%	92.62%
CHEMBL261	P00915	Carbonic anhydrase I	82.86%	96.76%
CHEMBL5805	Q9NR97	Toll-like receptor 8	82.32%	96.25%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.02%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.80%	99.17%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.90%	95.89%

Plants that contains it

• Piper arboreum
• Piper hispidum
• Piper nigrum

Cross-Links

• PubChem: 12073743
• LOTUS: LTS0127481
• wikiData: Q76422670