6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione

C14H23F3N2O2 — CID 64872817

IUPAC6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C(C)C)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C14H23F3N2O2/c1-5-9(4)11-12(20)18-10(8(2)3)13(21)19(11)7-6-14(15,16)17/h8-11H,5-7H2,1-4H3,(H,18,20)
InChIKeyWEXLJSCMTKOPBB-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.34
Rot. Bonds5

About 6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione

6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (PubChem CID 64872817) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
PubChem CID64872817
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C(C)C)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C14H23F3N2O2/c1-5-9(4)11-12(20)18-10(8(2)3)13(21)19(11)7-6-14(15,16)17/h8-11H,5-7H2,1-4H3,(H,18,20)
InChIKeyWEXLJSCMTKOPBB-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (CID 64872817) is 6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is CCC(C)C1C(=O)NC(C(C)C)C(=O)N1CCC(F)(F)F.
What is the InChIKey of 6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The InChIKey is WEXLJSCMTKOPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-5-9(4)11-12(20)18-10(8(2)3)13(21)19(11)7-6-14(15,16)17/h8-11H,5-7H2,1-4H3,(H,18,20).
What are the key properties of 6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione has a molecular weight of 308.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 64872817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).