Basic information
- Standard SMILES
Cc1c(C(=O)OC(C)(C)C)[nH]c2c1C(=O)N(CCN1CCCCC1)CCC2- InChIKey
JMWHPJIJPKEXES-UHFFFAOYSA-N- Molecular formula
- C21H33N3O3
- Average molar mass
- 375.5 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-4-oxo-5-(2-piperidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-methyl-4-oxo-5-(2-piperidin-1-ylethyl)-1,6,7,8-tetrahydropyrrolo[3,2-c]azepine-2-carboxylate
Names & synonyms
SCHEMBL3139302JMWHPJIJPKEXES-UHFFFAOYSA-N3-methyl-4-oxo-5-(2-piperidin-1-yl-ethyl)-1,4,5,6,7,8-hexahydro-pyrrolo[3,2-c]azepine-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59250087
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 539
Related reactions
3 records
Compound notes
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