{4-[4-(2-Ethyl-butyrylamino)-2-fluoro-phenyl]-piperazin-1-yl}-phenyl-acetic acid methyl ester

HCID 16667331
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Basic information

Standard SMILES
CCC(CC)C(=O)Nc1ccc(N2CCN(C(C(=O)OC)c3ccccc3)CC2)c(F)c1
InChIKey
WEUJYLUIDOWNGH-UHFFFAOYSA-N
Molecular formula
C25H32FN3O3
Average molar mass
441.5 g/mol

Names & identifiers

Preferred name
{4-[4-(2-Ethyl-butyrylamino)-2-fluoro-phenyl]-piperazin-1-yl}-phenyl-acetic acid methyl ester
IUPAC
methyl 2-[4-[4-(2-ethylbutanoylamino)-2-fluorophenyl]piperazin-1-yl]-2-phenylacetate

Names & synonyms

CHEMBL1823352SCHEMBL4005118WEUJYLUIDOWNGH-UHFFFAOYSA-NBDBM50352381{4-[4-(2-Ethyl-butyrylamino)-2-fluoro-phenyl]-piperazin-1-yl}-phenyl-acetic acid methyl ester

Database identifiers

PubChem CID
16667331
ChEMBL
CHEMBL1823352

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
61.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
32

Related reactions

2 records
New reaction record

Linked notes

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