3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one

C23H29FN2O3 — CID 67299157

IUPAC3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
SMILESCCOc1ccc(CCC(=O)N2CCN(CCOc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H29FN2O3/c1-2-28-21-8-3-19(4-9-21)5-12-23(27)26-15-13-25(14-16-26)17-18-29-22-10-6-20(24)7-11-22/h3-4,6-11H,2,5,12-18H2,1H3
InChIKeyTWURZLZZUBWVKA-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.38
Rot. Bonds9

About 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one

3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one (PubChem CID 67299157) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
PubChem CID67299157
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one
SMILESCCOc1ccc(CCC(=O)N2CCN(CCOc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H29FN2O3/c1-2-28-21-8-3-19(4-9-21)5-12-23(27)26-15-13-25(14-16-26)17-18-29-22-10-6-20(24)7-11-22/h3-4,6-11H,2,5,12-18H2,1H3
InChIKeyTWURZLZZUBWVKA-UHFFFAOYSA-N
XLogP3.38
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 59354971
1-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]ethanone
CID 78789869
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
2-(4-chlorophenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638356
3-[4-(difluoromethoxy)phenyl]-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 78848378
2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
CID 110638341
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611236
1-[4-[2-(2,4-difluorophenoxy)ethyl]piperazin-1-yl]-4-[4-(trifluoromethoxy)phenyl]butan-1-one;1-[4-[2-(2,4-difluorophenoxy)ethyl]piperazin-1-yl]-3-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157217755

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one (CID 67299157) is 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one is CCOc1ccc(CCC(=O)N2CCN(CCOc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one?
The InChIKey is TWURZLZZUBWVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-2-28-21-8-3-19(4-9-21)5-12-23(27)26-15-13-25(14-16-26)17-18-29-22-10-6-20(24)7-11-22/h3-4,6-11H,2,5,12-18H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one?
3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one has a molecular weight of 400.49 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 67299157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).