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

C13H14F3N3O2 — CID 82795304

IUPAC3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccc(C(F)(F)F)nc2)C1=O
InChIInChI=1S/C13H14F3N3O2/c1-2-3-9-12(21)19(7-11(20)18-9)8-4-5-10(17-6-8)13(14,15)16/h4-6,9H,2-3,7H2,1H3,(H,18,20)
InChIKeyQFCICPQUGJTVJH-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.73
Rot. Bonds3

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

3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione (PubChem CID 82795304) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
PubChem CID82795304
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccc(C(F)(F)F)nc2)C1=O
InChIInChI=1S/C13H14F3N3O2/c1-2-3-9-12(21)19(7-11(20)18-9)8-4-5-10(17-6-8)13(14,15)16/h4-6,9H,2-3,7H2,1H3,(H,18,20)
InChIKeyQFCICPQUGJTVJH-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione?
The IUPAC name of 3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione (CID 82795304) is 3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione.
What is the SMILES notation for 3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione?
The canonical SMILES for 3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione is CCCC1NC(=O)CN(c2ccc(C(F)(F)F)nc2)C1=O.
What is the InChIKey of 3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione?
The InChIKey is QFCICPQUGJTVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-2-3-9-12(21)19(7-11(20)18-9)8-4-5-10(17-6-8)13(14,15)16/h4-6,9H,2-3,7H2,1H3,(H,18,20).
What are the key properties of 3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione?
3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione has a molecular weight of 301.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione is sourced from PubChem (CID 82795304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).