3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione

C12H18N4O2 — CID 64879598

IUPAC3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
SMILESCc1nccn1CCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H18N4O2/c1-9-13-4-5-15(9)6-7-16-8-10(17)14-12(2,3)11(16)18/h4-5H,6-8H2,1-3H3,(H,14,17)
InChIKeyMTFWMMKRAWXODL-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.07
Rot. Bonds3

About 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione

3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione (PubChem CID 64879598) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
PubChem CID64879598
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
SMILESCc1nccn1CCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C12H18N4O2/c1-9-13-4-5-15(9)6-7-16-8-10(17)14-12(2,3)11(16)18/h4-5H,6-8H2,1-3H3,(H,14,17)
InChIKeyMTFWMMKRAWXODL-UHFFFAOYSA-N
XLogP-0.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64901017
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one
CID 130549375
1-amino-3-[2-(2-methylimidazol-1-yl)ethyl]-1,3-diazinan-2-one
CID 104601287
1-heptyl-3,3-dimethylpiperazine-2,5-dione
CID 64879590
3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 75399916
3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82872174
3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878650
3-ethyl-3,6-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64886998
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
CID 62101802
1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64967331
1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64964121

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione (CID 64879598) is 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione is Cc1nccn1CCN1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione?
The InChIKey is MTFWMMKRAWXODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9-13-4-5-15(9)6-7-16-8-10(17)14-12(2,3)11(16)18/h4-5H,6-8H2,1-3H3,(H,14,17).
What are the key properties of 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione?
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64879598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).