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

C16H28N2O3 — CID 64966897

IUPAC6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1CCC1CCCO1
InChIInChI=1S/C16H28N2O3/c1-4-14-15(19)17-13(10-11(2)3)16(20)18(14)8-7-12-6-5-9-21-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyWMGUEBTWOMNRTL-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds6

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

6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64966897) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64966897
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1CCC1CCCO1
InChIInChI=1S/C16H28N2O3/c1-4-14-15(19)17-13(10-11(2)3)16(20)18(14)8-7-12-6-5-9-21-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeyWMGUEBTWOMNRTL-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248880
3-cyclopropyl-6-ethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002965
2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one
CID 106000199
5-methyl-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83249314
6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione
CID 116645570
2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249091
5-ethyl-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248789
6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 114469767
2-ethyl-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249092
6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 107902162
6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 82737139
2-ethyl-5-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255692

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione (CID 64966897) is 6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione is CCC1C(=O)NC(CC(C)C)C(=O)N1CCC1CCCO1.
What is the InChIKey of 6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is WMGUEBTWOMNRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-14-15(19)17-13(10-11(2)3)16(20)18(14)8-7-12-6-5-9-21-12/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione?
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64966897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).