6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione

C13H24N2O3 — CID 64972906

IUPAC6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC(COC)N1C(=O)C(C)(C)NC(=O)C1CC
InChIInChI=1S/C13H24N2O3/c1-6-9(8-18-5)15-10(7-2)11(16)14-13(3,4)12(15)17/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyNEDGMNMNCPRKDE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds5

About 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione

6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64972906) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID64972906
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC(COC)N1C(=O)C(C)(C)NC(=O)C1CC
InChIInChI=1S/C13H24N2O3/c1-6-9(8-18-5)15-10(7-2)11(16)14-13(3,4)12(15)17/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyNEDGMNMNCPRKDE-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione
CID 64972933
6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
CID 64875375
6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione
CID 64968919
1-(1-methoxypropan-2-yl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64956607
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3,3,6-trimethyl-1-(1-methylsulfanylbutan-2-yl)piperazine-2,5-dione
CID 113495303
1-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64959171
1-(2,2-dimethylpropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964021
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620
1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 104830230
1-(1-methoxybutan-2-yl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64972901
1-cyclohexyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64958809

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione (CID 64972906) is 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione is CCC(COC)N1C(=O)C(C)(C)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is NEDGMNMNCPRKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-6-9(8-18-5)15-10(7-2)11(16)14-13(3,4)12(15)17/h9-10H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione?
6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 256.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64972906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).