4-Prop-2-ynyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one
Basic information
- Standard SMILES
C#CCN1CCN(Cc2cc3cnccc3[nH]2)C(=O)C1- InChIKey
VSVJJXWSXSFJKN-UHFFFAOYSA-N- Molecular formula
- C15H16N4O
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.13241115
Names & identifiers
- Preferred name
- 4-Prop-2-ynyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one
- IUPAC
- 4-prop-2-ynyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)piperazin-2-one
Names & synonyms
SCHEMBL1653300VSVJJXWSXSFJKN-UHFFFAOYSA-N4-Prop-2-ynyl-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-piperazin-2-one
Database identifiers
- PubChem CID
- 54409092
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 415
Related reactions
3 records
Compound notes
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