Basic information
- Standard SMILES
O=C(O)CN1CCCN(C2CCN(C(=O)OC(=O)c3ccccc3)CC2)C1=O- InChIKey
MHEWZDYPPWAWBD-UHFFFAOYSA-N- Molecular formula
- C19H23N3O6
- Average molar mass
- 389.4 g/mol
Names & identifiers
- Preferred name
- [3-{1-[(Benzoyloxy)carbonyl]piperidin-4-yl}-2-oxotetrahydropyrimidin-1(2H)-yl]acetic acid
- IUPAC
- 2-[3-(1-benzoyloxycarbonylpiperidin-4-yl)-2-oxo-1,3-diazinan-1-yl]acetic acid
Names & synonyms
SCHEMBL2861902MHEWZDYPPWAWBD-UHFFFAOYSA-N[3-{1-[(Benzoyloxy)carbonyl]piperidin-4-yl}-2-oxotetrahydropyrimidin-1(2H) -yl]acetic acid[3-{1-[(Benzoyloxy)carbonyl]piperidin-4-yl}-2-oxotetrahydropyrimidin-1(2H)-yl]acetic acid
Database identifiers
- PubChem CID
- 86623802
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 611
Related reactions
2 records
Compound notes
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