2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

C22H24F3N3O2 — CID 90640951

IUPAC2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccnc2c1CCCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)16-4-3-5-17(14-16)27-10-12-28(13-11-27)21(29)15-30-20-8-9-26-19-7-2-1-6-18(19)20/h3-5,8-9,14H,1-2,6-7,10-13,15H2
InChIKeyBZUNNHUHHQXSOW-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.71
Rot. Bonds4

About 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 90640951) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID90640951
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESO=C(COc1ccnc2c1CCCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H24F3N3O2/c23-22(24,25)16-4-3-5-17(14-16)27-10-12-28(13-11-27)21(29)15-30-20-8-9-26-19-7-2-1-6-18(19)20/h3-5,8-9,14H,1-2,6-7,10-13,15H2
InChIKeyBZUNNHUHHQXSOW-UHFFFAOYSA-N
XLogP3.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640712
2-phenoxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 3554555
2-(6-pyrrolidin-1-ylpyridazin-3-yl)oxy-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 42485311
1-[4-(dimethylamino)piperidin-1-yl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90641078
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-(2-methoxyphenoxy)acetate
CID 34376747
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 122281139
4-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 5222838
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 4-methoxybenzoate
CID 55397563
[2-(methylamino)-2-oxoethyl] 4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 69364898
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55330868
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] thiophene-2-carboxylate
CID 55397091

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 90640951) is 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is O=C(COc1ccnc2c1CCCC2)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is BZUNNHUHHQXSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c23-22(24,25)16-4-3-5-17(14-16)27-10-12-28(13-11-27)21(29)15-30-20-8-9-26-19-7-2-1-6-18(19)20/h3-5,8-9,14H,1-2,6-7,10-13,15H2.
What are the key properties of 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 419.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90640951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).