3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione

C14H26N2O3 — CID 106458998

IUPAC3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
SMILESCCCOCCN1C(=O)C(CC)NC(=O)C1CCC
InChIInChI=1S/C14H26N2O3/c1-4-7-12-13(17)15-11(6-3)14(18)16(12)8-10-19-9-5-2/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyKAUNWOUCEXEZDW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds8

About 3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione

3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione (PubChem CID 106458998) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
PubChem CID106458998
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
SMILESCCCOCCN1C(=O)C(CC)NC(=O)C1CCC
InChIInChI=1S/C14H26N2O3/c1-4-7-12-13(17)15-11(6-3)14(18)16(12)8-10-19-9-5-2/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyKAUNWOUCEXEZDW-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
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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Related Compounds

3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 103184655
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
CID 81114569
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64903177
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
3,6-diethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine-2,5-dione
CID 114469770
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
CID 114532473
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
CID 82947001
1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 106458916

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione (CID 106458998) is 3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione is CCCOCCN1C(=O)C(CC)NC(=O)C1CCC.
What is the InChIKey of 3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione?
The InChIKey is KAUNWOUCEXEZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-7-12-13(17)15-11(6-3)14(18)16(12)8-10-19-9-5-2/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione?
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 106458998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).