6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione

C15H26N2O3 — CID 64901545

IUPAC6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(CC(C)C)C(=O)N1C1CCOC1
InChIInChI=1S/C15H26N2O3/c1-5-15(4)14(19)16-12(8-10(2)3)13(18)17(15)11-6-7-20-9-11/h10-12H,5-9H2,1-4H3,(H,16,19)
InChIKeyNDXUZTCWMXMVJJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds4

About 6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione

6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione (PubChem CID 64901545) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione
PubChem CID64901545
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(CC(C)C)C(=O)N1C1CCOC1
InChIInChI=1S/C15H26N2O3/c1-5-15(4)14(19)16-12(8-10(2)3)13(18)17(15)11-6-7-20-9-11/h10-12H,5-9H2,1-4H3,(H,16,19)
InChIKeyNDXUZTCWMXMVJJ-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
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-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione (CID 64901545) is 6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione is CCC1(C)C(=O)NC(CC(C)C)C(=O)N1C1CCOC1.
What is the InChIKey of 6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione?
The InChIKey is NDXUZTCWMXMVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-15(4)14(19)16-12(8-10(2)3)13(18)17(15)11-6-7-20-9-11/h10-12H,5-9H2,1-4H3,(H,16,19).
What are the key properties of 6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione?
6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 64901545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).