Methyl 4-[3-[4-(4-pyridyl)piperazin-1-yl]-2-methylpropanoyl]phenoxyacetate

HCID 18918555

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

Related reactions

6 records

Linked notes

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