6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione

C15H24N2O2 — CID 106224989

IUPAC6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione
SMILESC#CC(CCC)N1C(=O)C(CCC)NC(=O)C1CC
InChIInChI=1S/C15H24N2O2/c1-5-9-11(7-3)17-13(8-4)14(18)16-12(10-6-2)15(17)19/h3,11-13H,5-6,8-10H2,1-2,4H3,(H,16,18)
InChIKeyWGIKVGBFFYFJSH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.69
Rot. Bonds6

About 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione

6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione (PubChem CID 106224989) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione
PubChem CID106224989
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione
SMILESC#CC(CCC)N1C(=O)C(CCC)NC(=O)C1CC
InChIInChI=1S/C15H24N2O2/c1-5-9-11(7-3)17-13(8-4)14(18)16-12(10-6-2)15(17)19/h3,11-13H,5-6,8-10H2,1-2,4H3,(H,16,18)
InChIKeyWGIKVGBFFYFJSH-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

6-ethyl-1-hex-1-yn-3-yl-3-methylpiperazine-2,5-dione
CID 106225066
6-ethyl-1-hex-1-yn-3-ylpiperazine-2,5-dione
CID 106225041
1-(1-ethoxypropan-2-yl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64967295
6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
CID 106210830
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
6-ethyl-3-propyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106432992
1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione
CID 64955942
6-ethyl-1-[1-(oxolan-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64960557
1-pentan-2-yl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64957236
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
1-(4-methoxybutan-2-yl)-3,6-dipropylpiperazine-2,5-dione
CID 116500053
6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
CID 64970920

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione (CID 106224989) is 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione is C#CC(CCC)N1C(=O)C(CCC)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione?
The InChIKey is WGIKVGBFFYFJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-9-11(7-3)17-13(8-4)14(18)16-12(10-6-2)15(17)19/h3,11-13H,5-6,8-10H2,1-2,4H3,(H,16,18).
What are the key properties of 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione?
6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione has a molecular weight of 264.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 106224989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).