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

C16H28N2O3 — CID 64901959

IUPAC3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)(CC)N(CC2CCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-11(3)13-14(19)18(10-12-8-7-9-21-12)16(4,6-2)15(20)17-13/h11-13H,5-10H2,1-4H3,(H,17,20)
InChIKeySCIUYMVDAAJGES-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds5

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

3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64901959) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64901959
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C)(CC)N(CC2CCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-5-11(3)13-14(19)18(10-12-8-7-9-21-12)16(4,6-2)15(20)17-13/h11-13H,5-10H2,1-4H3,(H,17,20)
InChIKeySCIUYMVDAAJGES-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Analyze 3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione with MolForge

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Related Compounds

3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione
CID 64902530
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione
CID 106440716
3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione
CID 65460488
3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64885686
1-(cyclopentylmethyl)-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64873515
3-butan-2-yl-6,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64901946
6,6-dimethyl-3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64900781
1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874004
6-butan-2-yl-1-(oxolan-2-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874947
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83250968
6,6-dimethyl-1-(oxan-2-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64872985
(5S)-5-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 124881230

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione (CID 64901959) is 3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(C)(CC)N(CC2CCCO2)C1=O.
What is the InChIKey of 3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is SCIUYMVDAAJGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-5-11(3)13-14(19)18(10-12-8-7-9-21-12)16(4,6-2)15(20)17-13/h11-13H,5-10H2,1-4H3,(H,17,20).
What are the key properties of 3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione?
3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-ethyl-6-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64901959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).