3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione

C13H22N2O3 — CID 106459136

IUPAC3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
SMILESCCCOCCN1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-3-7-18-8-6-15-9-11(16)14-13(2,12(15)17)10-4-5-10/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyUWFMAPJOZNCSTM-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds6

About 3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione

3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione (PubChem CID 106459136) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
PubChem CID106459136
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
SMILESCCCOCCN1CC(=O)NC(C)(C2CC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-3-7-18-8-6-15-9-11(16)14-13(2,12(15)17)10-4-5-10/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyUWFMAPJOZNCSTM-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione (CID 106459136) is 3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione is CCCOCCN1CC(=O)NC(C)(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione?
The InChIKey is UWFMAPJOZNCSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-7-18-8-6-15-9-11(16)14-13(2,12(15)17)10-4-5-10/h10H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione?
3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-(2-propoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 106459136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).