Basic information
- Standard SMILES
COCCCCn1c(C(=O)N(CC(C)C)[C@H]2C[C@@H](C(C)=O)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21- InChIKey
HXZLKUKZXCIZTD-PKTZIBPZSA-N- Molecular formula
- C29H44N4O5
- Average molar mass
- 528.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3R,5S)-3-acetyl-5-[{[1-(4-methoxybutyl)-1H-benzimidazol-2-yl]carbonyl}(2-methylpropyl)amino]piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R,5S)-3-acetyl-5-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2219094HXZLKUKZXCIZTD-PKTZIBPZSA-Ntert-butyl (3R,5S)-3-acetyl-5-[{[1-(4-methoxybutyl)-1H-benzimidazol-2-yl]carbonyl}(2-methylpropyl)amino]piperidine-1-carboxylatetert-butyl (3S,5R)-5-acetyl-3-[{[1-(4-methoxybutyl)-1H-benzimidazol-2-yl]carbonyl}(2-methylpropyl)amino]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 67321124
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 813
Related reactions
8 records
Compound notes
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