Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1[C@@H](CN2CCC(C(=O)c3ccc(Cl)cc3)CC2)COC1(C)C- InChIKey
YNVYZYABKQJMNU-IBGZPJMESA-N- Molecular formula
- C23H33ClN2O4
- Average molar mass
- 437 g/mol
Names & identifiers
- Preferred name
- (S)-4-[4-(4-chloro-benzoyl)-piperidin-1-ylmethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl (4S)-4-[[4-(4-chlorobenzoyl)piperidin-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Names & synonyms
SCHEMBL3838083YNVYZYABKQJMNU-IBGZPJMESA-N(S)-4-[4-(4-chloro-benzoyl)-piperidin-1-ylmethyl]-2,2-dimethyl-oxazoldine-3-carboxylic acid tert-butyl ester(S)-4-[4-(4-chloro-benzoyl)-piperidin-1-ylmethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester(S)4-[4-(4-chloro-benzoyl)-piperidin-1-ylmethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68809159
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 617
Related reactions
2 records
Compound notes
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