6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione

C14H22N4O2 — CID 114532499

IUPAC6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NCC(=O)N1CCc1nccn1C
InChIInChI=1S/C14H22N4O2/c1-4-14(5-2)13(20)16-10-12(19)18(14)8-6-11-15-7-9-17(11)3/h7,9H,4-6,8,10H2,1-3H3,(H,16,20)
InChIKeyDMGOSJOZLQPSKZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.48
Rot. Bonds5

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

6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 114532499) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
PubChem CID114532499
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1(CC)C(=O)NCC(=O)N1CCc1nccn1C
InChIInChI=1S/C14H22N4O2/c1-4-14(5-2)13(20)16-10-12(19)18(14)8-6-11-15-7-9-17(11)3/h7,9H,4-6,8,10H2,1-3H3,(H,16,20)
InChIKeyDMGOSJOZLQPSKZ-UHFFFAOYSA-N
XLogP0.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114532500
1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
CID 114531283
1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 114531954
6,6-diethyl-1-[(4-ethylphenyl)methyl]piperazine-2,5-dione
CID 64879343
1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 114531269
azane;1-methyl-2-propylimidazole
CID 174525892
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
methanamine;1-methyl-2-propylimidazole
CID 164902083
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
2-(ethylsulfonylmethyl)-1-methylimidazole
CID 117187200
1-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 64879711
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906

Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione (CID 114532499) is 6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione is CCC1(CC)C(=O)NCC(=O)N1CCc1nccn1C.
What is the InChIKey of 6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is DMGOSJOZLQPSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-14(5-2)13(20)16-10-12(19)18(14)8-6-11-15-7-9-17(11)3/h7,9H,4-6,8,10H2,1-3H3,(H,16,20).
What are the key properties of 6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione?
6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 278.36 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 114532499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).