3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione

C12H12F3N3O2 — CID 82817505

IUPAC3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(c2ccc(C(F)(F)F)nc2)C1=O
InChIInChI=1S/C12H12F3N3O2/c1-6-11(20)18(7(2)10(19)17-6)8-3-4-9(16-5-8)12(13,14)15/h3-7H,1-2H3,(H,17,19)
InChIKeyVOWVPEWZGPTFHI-UHFFFAOYSA-N
MW287.24 g/mol
LogP1.34
Rot. Bonds1

About 3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione

3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione (PubChem CID 82817505) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
PubChem CID82817505
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(c2ccc(C(F)(F)F)nc2)C1=O
InChIInChI=1S/C12H12F3N3O2/c1-6-11(20)18(7(2)10(19)17-6)8-3-4-9(16-5-8)12(13,14)15/h3-7H,1-2H3,(H,17,19)
InChIKeyVOWVPEWZGPTFHI-UHFFFAOYSA-N
XLogP1.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione (CID 82817505) is 3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione is CC1NC(=O)C(C)N(c2ccc(C(F)(F)F)nc2)C1=O.
What is the InChIKey of 3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione?
The InChIKey is VOWVPEWZGPTFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-6-11(20)18(7(2)10(19)17-6)8-3-4-9(16-5-8)12(13,14)15/h3-7H,1-2H3,(H,17,19).
What are the key properties of 3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione?
3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione has a molecular weight of 287.24 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione is sourced from PubChem (CID 82817505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).