3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione

C16H22N2O2 — CID 64955226

IUPAC3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C)c(N2CC(=O)NC(C(C)(C)C)C2=O)c1
InChIInChI=1S/C16H22N2O2/c1-10-6-7-11(2)12(8-10)18-9-13(19)17-14(15(18)20)16(3,4)5/h6-8,14H,9H2,1-5H3,(H,17,19)
InChIKeyLNEIUABPLUDCJA-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds1

About 3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione

3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione (PubChem CID 64955226) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione
PubChem CID64955226
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C)c(N2CC(=O)NC(C(C)(C)C)C2=O)c1
InChIInChI=1S/C16H22N2O2/c1-10-6-7-11(2)12(8-10)18-9-13(19)17-14(15(18)20)16(3,4)5/h6-8,14H,9H2,1-5H3,(H,17,19)
InChIKeyLNEIUABPLUDCJA-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione (CID 64955226) is 3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione is Cc1ccc(C)c(N2CC(=O)NC(C(C)(C)C)C2=O)c1.
What is the InChIKey of 3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione?
The InChIKey is LNEIUABPLUDCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-6-7-11(2)12(8-10)18-9-13(19)17-14(15(18)20)16(3,4)5/h6-8,14H,9H2,1-5H3,(H,17,19).
What are the key properties of 3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione?
3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,5-dimethylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 64955226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).