Basic information
- Standard SMILES
COc1ccccc1-c1cc(NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)ncn1- InChIKey
SMRUHXPNUVVZRX-IBGZPJMESA-N- Molecular formula
- C25H26N4O4
- Average molar mass
- 446.5 g/mol
Names & identifiers
- Preferred name
- (S)-3-[6-(2-methoxy-phenyl)-pyrimidin-4-ylcarbamoyl]-piperidine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl (3S)-3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL13133559SMRUHXPNUVVZRX-IBGZPJMESA-N(S)-3-[6-(2-methoxy-phenyl)-pyrimidin-4-ylcarbamoyl]-piperidine-1-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 59509033
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
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