6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione

C14H24N2O3 — CID 64874208

IUPAC6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C(C)C)C(=O)N1C1CCOC1
InChIInChI=1S/C14H24N2O3/c1-5-14(4)13(18)15-11(9(2)3)12(17)16(14)10-6-7-19-8-10/h9-11H,5-8H2,1-4H3,(H,15,18)
InChIKeyXKAVOCRYILQPOZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds3

About 6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione

6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64874208) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64874208
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C(C)C)C(=O)N1C1CCOC1
InChIInChI=1S/C14H24N2O3/c1-5-14(4)13(18)15-11(9(2)3)12(17)16(14)10-6-7-19-8-10/h9-11H,5-8H2,1-4H3,(H,15,18)
InChIKeyXKAVOCRYILQPOZ-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione (CID 64874208) is 6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione is CCC1(C)C(=O)NC(C(C)C)C(=O)N1C1CCOC1.
What is the InChIKey of 6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is XKAVOCRYILQPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-14(4)13(18)15-11(9(2)3)12(17)16(14)10-6-7-19-8-10/h9-11H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64874208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).