Basic information
- CAS
380484-59-3- Standard SMILES
Cc1ccc(C(=O)OCC(=O)N2C(C)CCCC2C)s1- InChIKey
QXTKWRSQPPVLKA-UHFFFAOYSA-N- Molecular formula
- C15H21NO3S
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.12421471
Names & identifiers
- Preferred name
- [2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
- IUPAC
- [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylate
Names & synonyms
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-methylthiophene-2-carboxylateOprea1_538428MLS002163250CHEMBL1522001DTXSID201322584HMS1739O01HMS3061B14AKOS033706044380484-59-3SMR001245640SR-01000033197SR-01000033197-1
Show more names
Z197605402-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl 5-methylthiophene-2-carboxylate
Database identifiers
- CAS
380484-59-3- PubChem CID
- 4649226
- DTXSID
DTXSID201322584- ChEMBL
CHEMBL1522001
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 364
Experimental & physicochemical properties
Solubility28.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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