3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione

C15H24N2O3 — CID 80731819

IUPAC3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C2CC3CCC2O3)C1=O
InChIInChI=1S/C15H24N2O3/c1-4-10-15(19)17(13(8(2)3)14(18)16-10)11-7-9-5-6-12(11)20-9/h8-13H,4-7H2,1-3H3,(H,16,18)
InChIKeyKACSRABWDMCYKD-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.07
Rot. Bonds3

About 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 80731819) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID80731819
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C2CC3CCC2O3)C1=O
InChIInChI=1S/C15H24N2O3/c1-4-10-15(19)17(13(8(2)3)14(18)16-10)11-7-9-5-6-12(11)20-9/h8-13H,4-7H2,1-3H3,(H,16,18)
InChIKeyKACSRABWDMCYKD-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-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

3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80732818
1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64973712
3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79351077
2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one
CID 83271173
3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
CID 80725478
1-(2-methylcyclopropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64969350
2-cyclopentyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one
CID 83267451
5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one
CID 83270218
1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 79878827
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
8-ethyl-9-(7-oxabicyclo[2.2.1]heptan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 80725501
2-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270692

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione (CID 80731819) is 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(C2CC3CCC2O3)C1=O.
What is the InChIKey of 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is KACSRABWDMCYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-10-15(19)17(13(8(2)3)14(18)16-10)11-7-9-5-6-12(11)20-9/h8-13H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 280.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 80731819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).