3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione

C16H28N2O3 — CID 114469804

IUPAC3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESC=C(C)COCCN1C(=O)C(C)(CC)NC(=O)C1C(C)C
InChIInChI=1S/C16H28N2O3/c1-7-16(6)15(20)18(8-9-21-10-11(2)3)13(12(4)5)14(19)17-16/h12-13H,2,7-10H2,1,3-6H3,(H,17,19)
InChIKeyXJTJQKNGGBBANN-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.73
Rot. Bonds7

About 3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 114469804) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione
PubChem CID114469804
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione
SMILESC=C(C)COCCN1C(=O)C(C)(CC)NC(=O)C1C(C)C
InChIInChI=1S/C16H28N2O3/c1-7-16(6)15(20)18(8-9-21-10-11(2)3)13(12(4)5)14(19)17-16/h12-13H,2,7-10H2,1,3-6H3,(H,17,19)
InChIKeyXJTJQKNGGBBANN-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-3,6-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
CID 114469771
3-ethyl-3-methyl-1-(3-methylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901390
3-ethyl-3-methyl-1-(5-methylhexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 115327146
1-(2,2-dimethylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64964468
3-ethyl-3-methyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963630
1-(2-ethoxy-2-methylpropyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 114944478
6-butan-2-yl-3-ethyl-1-(3-methoxypropyl)-3-methylpiperazine-2,5-dione
CID 64886435
1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64901759
3-ethyl-3-methyl-6-propan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970290
8-methyl-9-[2-(2-methylprop-2-enoxy)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114469832
3-ethyl-3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968189
3-ethyl-3-methyl-6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64903679

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione (CID 114469804) is 3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione is C=C(C)COCCN1C(=O)C(C)(CC)NC(=O)C1C(C)C.
What is the InChIKey of 3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is XJTJQKNGGBBANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-7-16(6)15(20)18(8-9-21-10-11(2)3)13(12(4)5)14(19)17-16/h12-13H,2,7-10H2,1,3-6H3,(H,17,19).
What are the key properties of 3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 114469804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).