Basic information
- Standard SMILES
CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2)C1- InChIKey
KCRAVKYHZLRGNT-INIZCTEOSA-N- Molecular formula
- C19H28ClN3O3
- Average molar mass
- 381.9 g/mol
Names & identifiers
- Preferred name
- (S)-{1-[(4-Chloro-benzylcarbamoyl)-methyl]-piperidin-3-yl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(3S)-1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidin-3-yl]carbamate
Names & synonyms
SCHEMBL15610608KCRAVKYHZLRGNT-INIZCTEOSA-N(S)-{1-[(4-Chloro-benzylcarbamoyl)-methyl]-piperidin-3-yl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86713541
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Related reactions
1 records
Compound notes
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