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

C14H22N4O3 — CID 106409196

IUPAC3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1Cc1noc(C)n1
InChIInChI=1S/C14H22N4O3/c1-5-10-12(19)16-14(6-2,7-3)13(20)18(10)8-11-15-9(4)21-17-11/h10H,5-8H2,1-4H3,(H,16,19)
InChIKeyOVFSCVJNZTWFCG-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.17
Rot. Bonds5

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

3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 106409196) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID106409196
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1Cc1noc(C)n1
InChIInChI=1S/C14H22N4O3/c1-5-10-12(19)16-14(6-2,7-3)13(20)18(10)8-11-15-9(4)21-17-11/h10H,5-8H2,1-4H3,(H,16,19)
InChIKeyOVFSCVJNZTWFCG-UHFFFAOYSA-N
XLogP1.17
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione with MolForge

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Related Compounds

6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409299
3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409193
3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409497
3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
CID 65043214
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
1-[(3-bromothiophen-2-yl)methyl]-3,3,6-triethylpiperazine-2,5-dione
CID 64887113
3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64886924
1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64964115
6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409311
3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 64968277
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409247
6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione
CID 81174229

Frequently Asked Questions

What is the IUPAC name of 3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (CID 106409196) is 3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(CC)(CC)C(=O)N1Cc1noc(C)n1.
What is the InChIKey of 3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is OVFSCVJNZTWFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-5-10-12(19)16-14(6-2,7-3)13(20)18(10)8-11-15-9(4)21-17-11/h10H,5-8H2,1-4H3,(H,16,19).
What are the key properties of 3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 294.36 g/mol, XLogP of 1.17, 5 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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 106409196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).