3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione

C17H24N2O2 — CID 64957642

IUPAC3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1C(C)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-5-14-15(20)18-17(4,6-2)16(21)19(14)12(3)13-10-8-7-9-11-13/h7-12,14H,5-6H2,1-4H3,(H,18,20)
InChIKeyHJYABWUCAVOESE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.65
Rot. Bonds4

About 3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione

3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione (PubChem CID 64957642) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione
PubChem CID64957642
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1C(C)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-5-14-15(20)18-17(4,6-2)16(21)19(14)12(3)13-10-8-7-9-11-13/h7-12,14H,5-6H2,1-4H3,(H,18,20)
InChIKeyHJYABWUCAVOESE-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1-(1-phenylethyl)imidazolidine-2,4-dione
CID 150985688
3,6-diethyl-3-methyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959773
1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 104830230
1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64887381
3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963066
6-ethyl-3,3-dimethyl-1-(1-phenylpropyl)piperazine-2,5-dione
CID 64968919
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
3-ethyl-3-methyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64885480
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
3-ethyl-3,6-dimethyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969649
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64965514
1-(2-chloro-6-methylphenyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 66255501

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione (CID 64957642) is 3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1C(C)c1ccccc1.
What is the InChIKey of 3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione?
The InChIKey is HJYABWUCAVOESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-14-15(20)18-17(4,6-2)16(21)19(14)12(3)13-10-8-7-9-11-13/h7-12,14H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione?
3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione has a molecular weight of 288.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-methyl-1-(1-phenylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64957642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).