1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione

C13H24N2O2 — CID 64955942

IUPAC1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(C(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-8-9-12(17)15(13(3,4)5)10(7-2)11(16)14-9/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyGLTOMILFZXXBMF-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.69
Rot. Bonds3

About 1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione

1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione (PubChem CID 64955942) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione
PubChem CID64955942
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(C(C)(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-8-9-12(17)15(13(3,4)5)10(7-2)11(16)14-9/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyGLTOMILFZXXBMF-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64956085
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
CID 115522571
6-ethyl-1-(2-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64959124
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
1-(2,4-dimethylcyclohexyl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64971821
6-ethyl-1-(4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 64957506
6-ethyl-3-propyl-1-pyrimidin-5-ylpiperazine-2,5-dione
CID 107590252
1-(1-ethoxypropan-2-yl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64967295
6-ethyl-1-hex-1-yn-3-yl-3-propylpiperazine-2,5-dione
CID 106224989
6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
CID 106210830
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione (CID 64955942) is 1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione?
The InChIKey is GLTOMILFZXXBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-8-9-12(17)15(13(3,4)5)10(7-2)11(16)14-9/h9-10H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione?
1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64955942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).