3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione

C14H22N4O3 — CID 106409497

IUPAC3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1CCc1ncno1
InChIInChI=1S/C14H22N4O3/c1-4-10-12(19)17-14(5-2,6-3)13(20)18(10)8-7-11-15-9-16-21-11/h9-10H,4-8H2,1-3H3,(H,17,19)
InChIKeyRKQGCZOKRNHSBB-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.91
Rot. Bonds6

About 3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione

3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione (PubChem CID 106409497) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
PubChem CID106409497
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1CCc1ncno1
InChIInChI=1S/C14H22N4O3/c1-4-10-12(19)17-14(5-2,6-3)13(20)18(10)8-7-11-15-9-16-21-11/h9-10H,4-8H2,1-3H3,(H,17,19)
InChIKeyRKQGCZOKRNHSBB-UHFFFAOYSA-N
XLogP0.91
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409492
1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64964115
3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409196
3,3-diethyl-1,6-dipropylpiperazine-2,5-dione
CID 64886735
3,3-diethyl-6-(2-methylpropyl)-1-propylpiperazine-2,5-dione
CID 64884826
3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409620
1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964510
3,3-dimethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepane-2,5-dione
CID 114185296
3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64886924
3,3-diethyl-6-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64884819
3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
CID 65043214
1-[(3-bromothiophen-2-yl)methyl]-3,3,6-triethylpiperazine-2,5-dione
CID 64887113

Frequently Asked Questions

What is the IUPAC name of 3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione (CID 106409497) is 3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione is CCC1C(=O)NC(CC)(CC)C(=O)N1CCc1ncno1.
What is the InChIKey of 3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The InChIKey is RKQGCZOKRNHSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-10-12(19)17-14(5-2,6-3)13(20)18(10)8-7-11-15-9-16-21-11/h9-10H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106409497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).