3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione

C15H24N4O2 — CID 114532459

IUPAC3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C)C(=O)N1CCc1nccn1C
InChIInChI=1S/C15H24N4O2/c1-10(2)9-12-14(20)17-11(3)15(21)19(12)7-5-13-16-6-8-18(13)4/h6,8,10-12H,5,7,9H2,1-4H3,(H,17,20)
InChIKeyCULAPWOQXFWROF-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.72
Rot. Bonds5

About 3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione

3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 114532459) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID114532459
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C)C(=O)N1CCc1nccn1C
InChIInChI=1S/C15H24N4O2/c1-10(2)9-12-14(20)17-11(3)15(21)19(12)7-5-13-16-6-8-18(13)4/h6,8,10-12H,5,7,9H2,1-4H3,(H,17,20)
InChIKeyCULAPWOQXFWROF-UHFFFAOYSA-N
XLogP0.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 114532445
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
CID 114532473
1-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64872364
3-methyl-6-(2-methylpropyl)-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627625
6-cyclopropyl-3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
CID 114532475
1-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64872564
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
3,3,7-trimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 114532522
1-[(3-bromothiophen-2-yl)methyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64874137
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
6-methyl-1-[(1-methylimidazol-2-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64971031
1-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-2-yl]ethanamine
CID 114528940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione (CID 114532459) is 3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1C(=O)NC(C)C(=O)N1CCc1nccn1C.
What is the InChIKey of 3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is CULAPWOQXFWROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(2)9-12-14(20)17-11(3)15(21)19(12)7-5-13-16-6-8-18(13)4/h6,8,10-12H,5,7,9H2,1-4H3,(H,17,20).
What are the key properties of 3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione?
3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 292.38 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 114532459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).