4-{4-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-4-oxo-butyl}-3-methyl-benzoic Acid Methyl Ester

HCID 57555419
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Basic information

Standard SMILES
COC(=O)c1ccc(CCCC(=O)N2CCN(CCC(C)(C)C)CC2)c(C)c1
InChIKey
XEBYCIABKVIGMF-UHFFFAOYSA-N
Molecular formula
C23H36N2O3
Average molar mass
388.5 g/mol
Monoisotopic mass
388.27259301

Names & identifiers

Preferred name
4-{4-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-4-oxo-butyl}-3-methyl-benzoic Acid Methyl Ester
IUPAC
methyl 4-[4-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-oxobutyl]-3-methylbenzoate

Names & synonyms

SCHEMBL1495878XEBYCIABKVIGMF-UHFFFAOYSA-N4-{4-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-4-oxo-butyl}-3-methyl-benzoic Acid Methyl Ester

Database identifiers

PubChem CID
57555419

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
49.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
28

Related reactions

4 records
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Compound notes

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