6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione

C20H25F3N4O2 — CID 151183907

IUPAC6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione
SMILESCC1=NC(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)NC1=O
InChIInChI=1S/C20H25F3N4O2/c1-14-18(28)25-19(29)17(24-14)7-2-3-8-26-9-11-27(12-10-26)16-6-4-5-15(13-16)20(21,22)23/h4-6,13,17H,2-3,7-12H2,1H3,(H,25,28,29)
InChIKeyNEWNXFNKKAAJPW-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.48
Rot. Bonds6

About 6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione

6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione (PubChem CID 151183907) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione.

Molecular Properties

Compound Name6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione
PubChem CID151183907
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione
SMILESCC1=NC(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)NC1=O
InChIInChI=1S/C20H25F3N4O2/c1-14-18(28)25-19(29)17(24-14)7-2-3-8-26-9-11-27(12-10-26)16-6-4-5-15(13-16)20(21,22)23/h4-6,13,17H,2-3,7-12H2,1H3,(H,25,28,29)
InChIKeyNEWNXFNKKAAJPW-UHFFFAOYSA-N
XLogP2.48
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
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CID 71757707
oxalic acid;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 163332625
1-ethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzimidazol-2-one
CID 59144857
3,4-dimethyl-6-oxo-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-pyridazine-5-carboxamide
CID 112841508
1-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 157343351
4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
CID 143125296
3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
CID 23369442
4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione
CID 14086524
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
(1R)-1,8,8-trimethyl-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3-azabicyclo[3.2.1]octan-2-one
CID 139624824
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione?
The IUPAC name of 6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione (CID 151183907) is 6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione.
What is the SMILES notation for 6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione?
The canonical SMILES for 6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione is CC1=NC(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)NC1=O.
What is the InChIKey of 6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione?
The InChIKey is NEWNXFNKKAAJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-14-18(28)25-19(29)17(24-14)7-2-3-8-26-9-11-27(12-10-26)16-6-4-5-15(13-16)20(21,22)23/h4-6,13,17H,2-3,7-12H2,1H3,(H,25,28,29).
What are the key properties of 6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione?
6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione has a molecular weight of 410.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-pyrazine-3,5-dione is sourced from PubChem (CID 151183907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).