1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione

C14H24N2O3 — CID 83040533

IUPAC1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
SMILESCCC1(CC)CC(N2CC(=O)NC(C)C2=O)CCO1
InChIInChI=1S/C14H24N2O3/c1-4-14(5-2)8-11(6-7-19-14)16-9-12(17)15-10(3)13(16)18/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyKMURXQRSSXPNAB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.07
Rot. Bonds3

About 1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione

1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione (PubChem CID 83040533) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
PubChem CID83040533
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
SMILESCCC1(CC)CC(N2CC(=O)NC(C)C2=O)CCO1
InChIInChI=1S/C14H24N2O3/c1-4-14(5-2)8-11(6-7-19-14)16-9-12(17)15-10(3)13(16)18/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyKMURXQRSSXPNAB-UHFFFAOYSA-N
XLogP1.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione (CID 83040533) is 1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione is CCC1(CC)CC(N2CC(=O)NC(C)C2=O)CCO1.
What is the InChIKey of 1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione?
The InChIKey is KMURXQRSSXPNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-14(5-2)8-11(6-7-19-14)16-9-12(17)15-10(3)13(16)18/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione?
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione has a molecular weight of 268.36 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 1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 83040533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).