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

C13H20N4O3 — CID 106409675

IUPAC6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CCc2ncon2)C1=O
InChIInChI=1S/C13H20N4O3/c1-3-5-9-13(19)17(10(4-2)12(18)15-9)7-6-11-14-8-20-16-11/h8-10H,3-7H2,1-2H3,(H,15,18)
InChIKeyPWWWDWNZNDFQTR-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.52
Rot. Bonds6

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

6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione (PubChem CID 106409675) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
PubChem CID106409675
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CCc2ncon2)C1=O
InChIInChI=1S/C13H20N4O3/c1-3-5-9-13(19)17(10(4-2)12(18)15-9)7-6-11-14-8-20-16-11/h8-10H,3-7H2,1-2H3,(H,15,18)
InChIKeyPWWWDWNZNDFQTR-UHFFFAOYSA-N
XLogP0.52
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409730
6-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 114185263
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64970533
3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409492
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
CID 106210830
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
CID 114532473
6-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64970882
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
6-ethyl-3-propyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106432992

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione (CID 106409675) is 6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(CCc2ncon2)C1=O.
What is the InChIKey of 6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione?
The InChIKey is PWWWDWNZNDFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-5-9-13(19)17(10(4-2)12(18)15-9)7-6-11-14-8-20-16-11/h8-10H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione?
6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 106409675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).