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

C12H18N4O3 — CID 106409299

IUPAC6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1noc(C)n1
InChIInChI=1S/C12H18N4O3/c1-5-8-10(17)14-12(3,4)11(18)16(8)6-9-13-7(2)19-15-9/h8H,5-6H2,1-4H3,(H,14,17)
InChIKeyGULRHYPPFQZAFZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.39
Rot. Bonds3

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

6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 106409299) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID106409299
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1Cc1noc(C)n1
InChIInChI=1S/C12H18N4O3/c1-5-8-10(17)14-12(3,4)11(18)16(8)6-9-13-7(2)19-15-9/h8H,5-6H2,1-4H3,(H,14,17)
InChIKeyGULRHYPPFQZAFZ-UHFFFAOYSA-N
XLogP0.39
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409196
3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409193
6-ethyl-3,3-dimethyl-1-(1,2-oxazol-3-ylmethyl)piperazine-2,5-dione
CID 81174229
6-ethyl-3,3-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-2,5-dione
CID 64966445
6-ethyl-3,3-dimethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 64970881
1-(2,2-dimethylpropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964021
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409247
6-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409311
6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
CID 65096750
6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
CID 64875375

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (CID 106409299) is 6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1Cc1noc(C)n1.
What is the InChIKey of 6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is GULRHYPPFQZAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-5-8-10(17)14-12(3,4)11(18)16(8)6-9-13-7(2)19-15-9/h8H,5-6H2,1-4H3,(H,14,17).
What are the key properties of 6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 106409299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).