Completing data — usually done within a minute
Basic information
- CAS
330468-97-8- Standard SMILES
CCOC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1- InChIKey
UFLKYDXQHOYVTA-UHFFFAOYSA-N- Molecular formula
- C15H18ClNO3
- Average molar mass
- 295.76 g/mol
- Monoisotopic mass
- 295.09752112
Names & identifiers
- Preferred name
- Ethyl 1-(3-chlorobenzoyl)-4-piperidinecarboxylate
- IUPAC
- ethyl 1-(3-chlorobenzoyl)piperidine-4-carboxylate
Names & synonyms
330468-97-8ethyl 1-(3-chlorobenzoyl)-4-piperidinecarboxylateethyl 1-(3-chlorobenzoyl)piperidine-4-carboxylateOprea1_163752Oprea1_666892MLS000061425SCHEMBL315088CHEMBL1904494UFLKYDXQHOYVTA-UHFFFAOYSA-NDTXSID901232194HMS1703P14HMS2435I06
Show more names
1-(3-Chloro-benzoyl)-piperidine-4-carboxylic acid ethyl esterAKOS000673645SMR000069834ST064873DB-157251H86302AG-690/11632272ethyl 1-[(3-chlorophenyl)carbonyl]piperidine-4-carboxylate
Database identifiers
- CAS
330468-97-8- PubChem CID
- 798973
- DTXSID
DTXSID901232194- ChEMBL
CHEMBL1904494
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 353
Related reactions
3 records
Compound notes
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