6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione

C15H24N2O2 — CID 106210830

IUPAC6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
SMILESC#CCCCCN1C(=O)C(CCC)NC(=O)C1CC
InChIInChI=1S/C15H24N2O2/c1-4-7-8-9-11-17-13(6-3)14(18)16-12(10-5-2)15(17)19/h1,12-13H,5-11H2,2-3H3,(H,16,18)
InChIKeyMQSZZSOENSCNBH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.70
Rot. Bonds7

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

6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione (PubChem CID 106210830) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
PubChem CID106210830
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
SMILESC#CCCCCN1C(=O)C(CCC)NC(=O)C1CC
InChIInChI=1S/C15H24N2O2/c1-4-7-8-9-11-17-13(6-3)14(18)16-12(10-5-2)15(17)19/h1,12-13H,5-11H2,2-3H3,(H,16,18)
InChIKeyMQSZZSOENSCNBH-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522
6-ethyl-3-propyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106432992
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
1-but-3-ynyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64972450
3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
CID 81114569
6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione
CID 106224989
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione (CID 106210830) is 6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione is C#CCCCCN1C(=O)C(CCC)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione?
The InChIKey is MQSZZSOENSCNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-7-8-9-11-17-13(6-3)14(18)16-12(10-5-2)15(17)19/h1,12-13H,5-11H2,2-3H3,(H,16,18).
What are the key properties of 6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione?
6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione has a molecular weight of 264.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 106210830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).