[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate

C21H23FN2O4 — CID 4783124

IUPAC[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2O4/c1-27-19-5-3-2-4-16(19)14-21(26)28-15-20(25)24-12-10-23(11-13-24)18-8-6-17(22)7-9-18/h2-9H,10-15H2,1H3
InChIKeyGZNRJNMKLFHHHB-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.27
Rot. Bonds6

About [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate

[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate (PubChem CID 4783124) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
PubChem CID4783124
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23FN2O4/c1-27-19-5-3-2-4-16(19)14-21(26)28-15-20(25)24-12-10-23(11-13-24)18-8-6-17(22)7-9-18/h2-9H,10-15H2,1H3
InChIKeyGZNRJNMKLFHHHB-UHFFFAOYSA-N
XLogP2.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate (CID 4783124) is [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate is COc1ccccc1CC(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The InChIKey is GZNRJNMKLFHHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-27-19-5-3-2-4-16(19)14-21(26)28-15-20(25)24-12-10-23(11-13-24)18-8-6-17(22)7-9-18/h2-9H,10-15H2,1H3.
What are the key properties of [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate has a molecular weight of 386.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 4783124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).