Basic information
- Standard SMILES
CCCC[C@H](COCC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccc2c(Cl)c[nH]c2c1- InChIKey
LLTPHLIQPPNYLM-HXUWFJFHSA-N- Molecular formula
- C26H38ClN3O4
- Average molar mass
- 492 g/mol
Names & identifiers
- Preferred name
- 4-{(R)-2-[(3-Chloro-1H-indole-6-carbonyl)amino]-2-(butyl)-ethoxymethyl}piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[(2R)-2-[(3-chloro-1H-indole-6-carbonyl)amino]hexoxy]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5092558LLTPHLIQPPNYLM-HXUWFJFHSA-N4-{(R)-2-[(3-Chloro-1H-indole-6-carbonyl)amino]-2-(butyl)-ethoxymethyl}piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69307900
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 663
Related reactions
1 records
Compound notes
Loading…