6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione

C13H24N2O3 — CID 103016981

IUPAC6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1CCC(C)(C)OC
InChIInChI=1S/C13H24N2O3/c1-6-13(4)11(17)14-9-10(16)15(13)8-7-12(2,3)18-5/h6-9H2,1-5H3,(H,14,17)
InChIKeyIBHCCNARPXHFKF-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds5

About 6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione

6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione (PubChem CID 103016981) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione
PubChem CID103016981
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1CCC(C)(C)OC
InChIInChI=1S/C13H24N2O3/c1-6-13(4)11(17)14-9-10(16)15(13)8-7-12(2,3)18-5/h6-9H2,1-5H3,(H,14,17)
InChIKeyIBHCCNARPXHFKF-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

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Related Compounds

1-(3-methoxy-3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 103016990
6-ethyl-6-methyl-1-pentylpiperazine-2,5-dione
CID 64879719
1-(3-ethoxypropyl)-6-ethyl-6-methylpiperazine-2,5-dione
CID 65179679
1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione
CID 103037387
6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64881075
6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871112
1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64880105
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836
1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64878954
3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione
CID 103016903
1-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 64879711
1-[(3,4-dichlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64879523

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione (CID 103016981) is 6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione is CCC1(C)C(=O)NCC(=O)N1CCC(C)(C)OC.
What is the InChIKey of 6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione?
The InChIKey is IBHCCNARPXHFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-6-13(4)11(17)14-9-10(16)15(13)8-7-12(2,3)18-5/h6-9H2,1-5H3,(H,14,17).
What are the key properties of 6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione?
6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-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-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 103016981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).