Basic information
- Standard SMILES
CC12CCC(C)(C1)C(=O)N(CCCCN1CCN(c3ncccn3)CC1)C2=O- InChIKey
FJAGHYJBPYQBFN-UHFFFAOYSA-N- Molecular formula
- C21H31N5O2
- Average molar mass
- 385.5 g/mol
Names & identifiers
- Preferred name
- 3-(4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl)-1, 5-dimethyl-3-azabicyclo[3.2.1]octan-2,4-dione
- IUPAC
- 1,5-dimethyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.1]octane-2,4-dione
Names & synonyms
SCHEMBL9587195FJAGHYJBPYQBFN-UHFFFAOYSA-N3-(4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl)-1, 5-dimethyl-3-azabicyclo[3.2.1]octan-2,4-dione
Database identifiers
- PubChem CID
- 14097166
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 572
Related reactions
2 records
Compound notes
Loading…