6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione

C13H22N2O4 — CID 64874482

IUPAC6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
SMILESCOCCOCCN1C(=O)C(C)NC(=O)C1C1CC1
InChIInChI=1S/C13H22N2O4/c1-9-13(17)15(5-6-19-8-7-18-2)11(10-3-4-10)12(16)14-9/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyZIDDHNUIUUMQBF-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.23
Rot. Bonds7

About 6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione

6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione (PubChem CID 64874482) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
PubChem CID64874482
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
SMILESCOCCOCCN1C(=O)C(C)NC(=O)C1C1CC1
InChIInChI=1S/C13H22N2O4/c1-9-13(17)15(5-6-19-8-7-18-2)11(10-3-4-10)12(16)14-9/h9-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyZIDDHNUIUUMQBF-UHFFFAOYSA-N
XLogP-0.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
1-[2-(2-methoxyethoxy)ethyl]-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64872364
6-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine-2,5-dione
CID 65177758
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64901847
6-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64872906
6-cyclopropyl-1-(2-methoxyethyl)-3-propylpiperazine-2,5-dione
CID 64873961
6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione
CID 103184650
6-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine-2,5-dione
CID 103414640
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64880925
6-cyclopropyl-1-(2-ethoxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901725
1-(cyclopentylmethyl)-6-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64874680
6-cyclohexyl-1-(2-ethoxyethyl)-3-ethylpiperazine-2,5-dione
CID 64901093

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione (CID 64874482) is 6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione is COCCOCCN1C(=O)C(C)NC(=O)C1C1CC1.
What is the InChIKey of 6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
The InChIKey is ZIDDHNUIUUMQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-13(17)15(5-6-19-8-7-18-2)11(10-3-4-10)12(16)14-9/h9-11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione has a molecular weight of 270.33 g/mol, XLogP of -0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64874482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).