1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione

C16H22N2O2 — CID 64958635

IUPAC1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1ccc(C)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-6-13-14(19)17-16(4,5)15(20)18(13)12-8-7-10(2)11(3)9-12/h7-9,13H,6H2,1-5H3,(H,17,19)
InChIKeyWGJQCCTUZBBHKS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.32
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione

1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64958635) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64958635
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1c1ccc(C)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-6-13-14(19)17-16(4,5)15(20)18(13)12-8-7-10(2)11(3)9-12/h7-9,13H,6H2,1-5H3,(H,17,19)
InChIKeyWGJQCCTUZBBHKS-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-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 64958635) is 1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is WGJQCCTUZBBHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-6-13-14(19)17-16(4,5)15(20)18(13)12-8-7-10(2)11(3)9-12/h7-9,13H,6H2,1-5H3,(H,17,19).
What are the key properties of 1-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione?
1-(3,4-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-(3,4-dimethylphenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64958635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).