3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione

C17H32N2O2 — CID 65043214

IUPAC3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1C(CC)(CC)CC
InChIInChI=1S/C17H32N2O2/c1-7-13-14(20)18-17(11-5,12-6)15(21)19(13)16(8-2,9-3)10-4/h13H,7-12H2,1-6H3,(H,18,20)
InChIKeyQTVMRHKHJFFUBP-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.25
Rot. Bonds7

About 3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione

3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione (PubChem CID 65043214) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
PubChem CID65043214
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1C(CC)(CC)CC
InChIInChI=1S/C17H32N2O2/c1-7-13-14(20)18-17(11-5,12-6)15(21)19(13)16(8-2,9-3)10-4/h13H,7-12H2,1-6H3,(H,18,20)
InChIKeyQTVMRHKHJFFUBP-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64964115
3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210995
1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64955313
1-(4-bromophenyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64962532
3,3-diethyl-1,6-dipropylpiperazine-2,5-dione
CID 64886735
3,3,6-triethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409196
3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64886924
3,3-diethyl-6-(2-methylpropyl)-1-propylpiperazine-2,5-dione
CID 64884826
1-[(3-bromothiophen-2-yl)methyl]-3,3,6-triethylpiperazine-2,5-dione
CID 64887113
3,3-diethyl-1-prop-2-enyl-6-propylpiperazine-2,5-dione
CID 64886736
1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 104830230
3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409497

Frequently Asked Questions

What is the IUPAC name of 3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione (CID 65043214) is 3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione is CCC1C(=O)NC(CC)(CC)C(=O)N1C(CC)(CC)CC.
What is the InChIKey of 3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione?
The InChIKey is QTVMRHKHJFFUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-13-14(20)18-17(11-5,12-6)15(21)19(13)16(8-2,9-3)10-4/h13H,7-12H2,1-6H3,(H,18,20).
What are the key properties of 3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione?
3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 65043214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).