2-Oxaspiro(4.4)nonane-3-acetic acid, 1-oxo-1-phenyl-, 1-methyl-4-piperidyl ester
Basic information
- CAS
101834-43-9- Standard SMILES
CN1CCC(OC(=O)CC2(c3ccccc3)CC3(CCCC3)C(=O)O2)CC1- InChIKey
HSLUGXGVPLWRMZ-UHFFFAOYSA-N- Molecular formula
- C22H29NO4
- Average molar mass
- 371.5 g/mol
- Monoisotopic mass
- 371.20965841
Names & identifiers
- Preferred name
- 2-Oxaspiro(4.4)nonane-3-acetic acid, 1-oxo-1-phenyl-, 1-methyl-4-piperidyl ester
- IUPAC
- (1-methylpiperidin-4-yl) 2-(1-oxo-3-phenyl-2-oxaspiro[4.4]nonan-3-yl)acetate
Names & synonyms
2-OXASPIRO(4.4)NONANE-3-ACETIC ACID, 1-OXO-1-PHENYL-, 1-METHYL-4-PIPERIDYL ESTER101834-43-91-Methyl-4-piperidyl-1-(1-carboxycyclopentyl)-3-hydroxy-3-phenylbutyrate gamma-lactoneRefChem:264564DTXSID509067401-Methylpiperidin-4-yl (1-oxo-3-phenyl-2-oxaspiro[4.4]nonan-3-yl)acetate
Database identifiers
- CAS
101834-43-9- PubChem CID
- 59054
- DTXSID
DTXSID50906740
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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