3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione

C14H22N2O3 — CID 80733238

IUPAC3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C2CC3CCC2O3)C1=O
InChIInChI=1S/C14H22N2O3/c1-3-14(4-2)13(18)16(8-12(17)15-14)10-7-9-5-6-11(10)19-9/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyKOMNLRCADTXZRM-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.82
Rot. Bonds3

About 3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione

3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione (PubChem CID 80733238) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
PubChem CID80733238
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(C2CC3CCC2O3)C1=O
InChIInChI=1S/C14H22N2O3/c1-3-14(4-2)13(18)16(8-12(17)15-14)10-7-9-5-6-11(10)19-9/h9-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyKOMNLRCADTXZRM-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione (CID 80733238) is 3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione is CCC1(CC)NC(=O)CN(C2CC3CCC2O3)C1=O.
What is the InChIKey of 3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione?
The InChIKey is KOMNLRCADTXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-14(4-2)13(18)16(8-12(17)15-14)10-7-9-5-6-11(10)19-9/h9-11H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione?
3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione has a molecular weight of 266.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 80733238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).