Basic information
- Standard SMILES
COC(=O)COc1ccc(C(=O)C(C)CN2CCN(c3ccncc3)CC2)cc1- InChIKey
BHWYFSAGWZAITR-UHFFFAOYSA-N- Molecular formula
- C22H27N3O4
- Average molar mass
- 397.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[3-[4-(4-pyridyl)piperazin-1-yl]-2-methylpropanoyl]phenoxyacetate
- IUPAC
- methyl 2-[4-[2-methyl-3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]phenoxy]acetate
Names & synonyms
SCHEMBL7396290BHWYFSAGWZAITR-UHFFFAOYSA-NMethyl 4-[3-[4-(4-pyridyl)piperazin-1-yl]-2-methylpropanoyl]phenoxyacetateMethyl 4-[3-[4-(4-pyridyl)piperazin-1-yl]-2-methyl-propanoyl]phenoxyacetateMethyl 4-[3-[4-(4-pyridyl)piperazin-1-yl]-2-methylpropanoyl]-phenoxyacetate
Database identifiers
- PubChem CID
- 18918555
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 522
Related reactions
6 records
Linked notes
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