Basic information
- Standard SMILES
NC1CCN(CC2Cn3c(=O)cnc4ccc(=O)n2c43)CC1- InChIKey
JOGFZPVEGIXGEL-UHFFFAOYSA-N- Molecular formula
- C15H19N5O2
- Average molar mass
- 301.34 g/mol
Names & identifiers
- Preferred name
- 2-[(4-Aminopiperidin-1-yl)methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
- IUPAC
- 2-[(4-aminopiperidin-1-yl)methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
Names & synonyms
SCHEMBL12746439
Database identifiers
- PubChem CID
- 58200862
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 615
Related reactions
4 records
Compound notes
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