3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione

C12H22N2O3 — CID 64884815

IUPAC3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(CCOC)C1=O
InChIInChI=1S/C12H22N2O3/c1-5-12(6-2)11(16)14(7-8-17-4)9(3)10(15)13-12/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyMXDADNHRVJUXNZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

About 3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione

3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione (PubChem CID 64884815) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
PubChem CID64884815
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)N(CCOC)C1=O
InChIInChI=1S/C12H22N2O3/c1-5-12(6-2)11(16)14(7-8-17-4)9(3)10(15)13-12/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyMXDADNHRVJUXNZ-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-diethyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459079
3,3-diethyl-6-methyl-1-pent-4-ynylpiperazine-2,5-dione
CID 114160170
3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64884818
3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione
CID 113464217
3,3-diethyl-1-(4-methoxybutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967457
3,3-diethyl-6-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
CID 64884819
1-(2-ethoxyethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875371
3,3-diethyl-6-methyl-1-[(4-methylphenyl)methyl]piperazine-2,5-dione
CID 64887112
3,3-diethyl-1-[(3-methoxyoxolan-3-yl)methyl]-6-methylpiperazine-2,5-dione
CID 104766524
3,3-diethyl-6-methyl-1-[(2-methylphenyl)methyl]piperazine-2,5-dione
CID 64887687
3,3-diethyl-6-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79070914
1-cyclopropyl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958476

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione (CID 64884815) is 3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(CCOC)C1=O.
What is the InChIKey of 3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is MXDADNHRVJUXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-12(6-2)11(16)14(7-8-17-4)9(3)10(15)13-12/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione?
3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64884815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).