Basic information
- Standard SMILES
CC(=O)CN1CCCN(C2CCN(C(=O)OCc3ccccc3)CC2)C1=O- InChIKey
TVHOIDFZUGQGTH-UHFFFAOYSA-N- Molecular formula
- C20H27N3O4
- Average molar mass
- 373.4 g/mol
Names & identifiers
- Preferred name
- Benzyl 4-[3-(methylcarbonylmethyl)-2-oxotetrahydropyrimidin-1(2H)-yl]piperidin-1-carboxylate
- IUPAC
- benzyl 4-[2-oxo-3-(2-oxopropyl)-1,3-diazinan-1-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2859914TVHOIDFZUGQGTH-UHFFFAOYSA-NBenzyl 4-[3-(methylcarbonylmethyl)-2-oxotetrahydropyrimidin-1(2H)-yl]piperidin-1-carboxylate
Database identifiers
- PubChem CID
- 68420143
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 539
Related reactions
2 records
Compound notes
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