1-Piperidinepropanamide, N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-
Basic information
- CAS
58323-02-7- Standard SMILES
Cc1ccc2c(c1)[C@@]1(C)CCC(=O)[C@@H](NC(=O)CCN3CCCCC3)[C@H]1O2.Cl- InChIKey
UOSWIYRQMHTIRV-AFYLVLOISA-N- Molecular formula
- C22H31ClN2O3
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.2023205
Names & identifiers
- Preferred name
- 1-Piperidinepropanamide, N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-
- IUPAC
- N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-3-piperidin-1-ylpropanamide;hydrochloride
Names & synonyms
58323-02-71-Piperidinepropanamide, N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-RefChem:234401DTXSID80973864N-(8,9b-Dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl)-3-(piperidin-1-yl)propanimidic acid--hydrogen chloride (1/1)N-[(4S,4aS,9bR)-8,9b-Dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl]-3-(piperidin-1-yl)propanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
58323-02-7- PubChem CID
- 3045108
- DTXSID
DTXSID80973864
Properties
Computed structural properties
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 574
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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