Basic information
- Standard SMILES
CC(C)(c1cncnc1)N1CCC(=O)CC1- InChIKey
PDKIGPTUVAAFGE-UHFFFAOYSA-N- Molecular formula
- C12H17N3O
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.13716217
Names & identifiers
- Preferred name
- 1-(2-(5-Pyrimidinyl)-prop-2-yl)-4-oxopiperidine
- IUPAC
- 1-(2-pyrimidin-5-ylpropan-2-yl)piperidin-4-one
Names & synonyms
SCHEMBL8863523PDKIGPTUVAAFGE-UHFFFAOYSA-N1-(2-(5-pyrimidinyl)-prop-2-yl)-4-oxopiperidine
Database identifiers
- PubChem CID
- 21471595
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
4 records
Compound notes
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