1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione

C16H22N2O2 — CID 64958674

IUPAC1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1cccc(C)c1C
InChIInChI=1S/C16H22N2O2/c1-6-12-14(19)17-16(4,5)15(20)18(12)13-9-7-8-10(2)11(13)3/h7-9,12H,6H2,1-5H3,(H,17,19)
InChIKeyCBXCBTUDAUCWJL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.32
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione

1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64958674) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64958674
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1cccc(C)c1C
InChIInChI=1S/C16H22N2O2/c1-6-12-14(19)17-16(4,5)15(20)18(12)13-9-7-8-10(2)11(13)3/h7-9,12H,6H2,1-5H3,(H,17,19)
InChIKeyCBXCBTUDAUCWJL-UHFFFAOYSA-N
XLogP2.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 64958674) is 1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is CBXCBTUDAUCWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-6-12-14(19)17-16(4,5)15(20)18(12)13-9-7-8-10(2)11(13)3/h7-9,12H,6H2,1-5H3,(H,17,19).
What are the key properties of 1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 274.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64958674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).