Basic information
- Standard SMILES
O=C(Nc1cc(Cl)ncn1)C1CCN(C(=O)OCc2ccccc2)CC1- InChIKey
SXHVVZVDYKLZQN-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4O3
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.1145682
Names & identifiers
- Preferred name
- 4-(6-Chloro-pyrimidin-4-ylcarbamoyl)-piperidine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 4-[(6-chloropyrimidin-4-yl)carbamoyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL13133523SXHVVZVDYKLZQN-UHFFFAOYSA-N4-(6-chloro-pyrimidin-4-ylcarbamoyl)-piperidine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 59508955
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 479
Related reactions
9 records
Compound notes
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