3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione

C12H20N2O3 — CID 64967006

IUPAC3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CCC2CCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-8-12(16)14(9(2)11(15)13-8)6-5-10-4-3-7-17-10/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyPVCCWPOPJPUSMI-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds3

About 3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione

3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64967006) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64967006
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CCC2CCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-8-12(16)14(9(2)11(15)13-8)6-5-10-4-3-7-17-10/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyPVCCWPOPJPUSMI-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64874853
6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170198
5-methyl-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249314
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
5-butyl-2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249315
5-ethyl-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248789
2-ethyl-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83250154
3-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64886563
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64966897
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965
2-ethyl-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249092
5-methyl-3-[2-(oxan-2-yl)ethyl]-2-thiophen-3-ylimidazolidin-4-one
CID 106000166

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione (CID 64967006) is 3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione is CC1NC(=O)C(C)N(CCC2CCCO2)C1=O.
What is the InChIKey of 3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is PVCCWPOPJPUSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-12(16)14(9(2)11(15)13-8)6-5-10-4-3-7-17-10/h8-10H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64967006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).