3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione

C15H28N2O4 — CID 103184655

IUPAC3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1CCOCCCOC
InChIInChI=1S/C15H28N2O4/c1-4-7-13-14(18)16-12(5-2)15(19)17(13)8-11-21-10-6-9-20-3/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyJJOCWYZVFGIODV-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.95
Rot. Bonds10

About 3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione

3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione (PubChem CID 103184655) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
PubChem CID103184655
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1CCOCCCOC
InChIInChI=1S/C15H28N2O4/c1-4-7-13-14(18)16-12(5-2)15(19)17(13)8-11-21-10-6-9-20-3/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyJJOCWYZVFGIODV-UHFFFAOYSA-N
XLogP0.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.95
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

3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998
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
6-tert-butyl-3-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine-2,5-dione
CID 64902809
1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 64872679
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
3-cyclohexyl-1-(2-methoxyethyl)-6-propylpiperazine-2,5-dione
CID 64885264
6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
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
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64901847

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione (CID 103184655) is 3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(CC)C(=O)N1CCOCCCOC.
What is the InChIKey of 3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione?
The InChIKey is JJOCWYZVFGIODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-7-13-14(18)16-12(5-2)15(19)17(13)8-11-21-10-6-9-20-3/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of 3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione?
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione has a molecular weight of 300.40 g/mol, XLogP of 0.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 103184655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).