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

C16H30N2O3 — CID 64903178

IUPAC3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1CCOCCC(C)C
InChIInChI=1S/C16H30N2O3/c1-5-7-14-15(19)17-13(6-2)16(20)18(14)9-11-21-10-8-12(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyUFWWIRGYEBZQJZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds9

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

3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione (PubChem CID 64903178) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
PubChem CID64903178
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1CCOCCC(C)C
InChIInChI=1S/C16H30N2O3/c1-5-7-14-15(19)17-13(6-2)16(20)18(14)9-11-21-10-8-12(3)4/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyUFWWIRGYEBZQJZ-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
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-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998
3-ethyl-1-[2-(3-methoxypropoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 103184655
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 64872765
1-(3-ethoxypropyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 65177926
3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
CID 81114569
5-ethyl-3-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)imidazolidin-4-one
CID 83253960
1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 106458916
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1-hexyl-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900959
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
3-ethyl-6-propyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64903177

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione (CID 64903178) is 3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(CC)C(=O)N1CCOCCC(C)C.
What is the InChIKey of 3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione?
The InChIKey is UFWWIRGYEBZQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-7-14-15(19)17-13(6-2)16(20)18(14)9-11-21-10-8-12(3)4/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione?
3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64903178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).