Ethyl 1-(3-cyclopentylpropanoyl)-4-piperidinecarboxylate
Basic information
- CAS
695168-44-6- Standard SMILES
CCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1- InChIKey
LHCQECNXCNROTF-UHFFFAOYSA-N- Molecular formula
- C16H27NO3
- Average molar mass
- 281.39 g/mol
- Monoisotopic mass
- 281.19909372
Names & identifiers
- Preferred name
- Ethyl 1-(3-cyclopentylpropanoyl)-4-piperidinecarboxylate
- IUPAC
- ethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
Names & synonyms
695168-44-6ethyl 1-(3-cyclopentylpropanoyl)-4-piperidinecarboxylateethyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylateMLS000974430CHEMBL1423368LHCQECNXCNROTF-UHFFFAOYSA-NDTXSID101328658HMS2827E18AKOS008930679SMR000497856SR-01000271174SR-01000271174-1
Show more names
Z31785664Isonipecotic acid, N-(3-cyclopentylpropionyl)-, ethyl ester
Database identifiers
- CAS
695168-44-6- PubChem CID
- 976292
- DTXSID
DTXSID101328658- ChEMBL
CHEMBL1423368
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
Experimental & physicochemical properties
Solubility37.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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