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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL342669
CHEMBL342669
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H25NO3

Additional synonyms for CHEMBL342669 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3
Standard InChI InChI=1S/C21H25NO3/c1-2-22-15-9-14-19(16-22)25-20(23)21(24,1 ...
Download InChI
Standard InChI Key OJYOTLHNSMYONM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL342669

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
339.4 339.1834 3.59 6 49.77 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.29 7.96 2.82 2.16 2 25 0.82

Structural Alerts

There are 3 structural alerts for CHEMBL342669. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OJYOTLHNSMYONM-UHFFFAOYSA-N
Wikipedia N-Ethyl-3-piperidyl_benzilate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL342669



IBM Patent System BC7C2C82A6C9FE52E438FEBB7302BCBD
Mcule MCULE-4785336657
Nikkaji J54.512K
PubChem 62504
SureChEMBL SCHEMBL1742170

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/OJYOTLHNSMYONM-UHFFFAOYSA-N spacer
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