3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione

C16H30N2O2 — CID 64971742

IUPAC3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione
SMILESCCC(CC)C(C)N1C(=O)C(CC)(CC)NC(=O)C1C
InChIInChI=1S/C16H30N2O2/c1-7-13(8-2)11(5)18-12(6)14(19)17-16(9-3,10-4)15(18)20/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyHZRHRPVFMVJSJQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds6

About 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione

3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione (PubChem CID 64971742) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione
PubChem CID64971742
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione
SMILESCCC(CC)C(C)N1C(=O)C(CC)(CC)NC(=O)C1C
InChIInChI=1S/C16H30N2O2/c1-7-13(8-2)11(5)18-12(6)14(19)17-16(9-3,10-4)15(18)20/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyHZRHRPVFMVJSJQ-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione with MolForge

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Related Compounds

1-but-3-yn-2-yl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 114420520
3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
CID 64973042
3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965106
3,3-diethyl-6-methyl-1-(1-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64969533
1-cyclopropyl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64958476
3,3-diethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64968418
3-methyl-4-(3-methylpentan-2-yl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64964453
3,3-diethyl-6-methyl-1-(1-methylcyclopropyl)piperazine-2,5-dione
CID 113486061
3,3-diethyl-6-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64884818
3,3-diethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64884815
3,3-diethyl-6-methyl-1-[(2-methylcyclopropyl)methyl]piperazine-2,5-dione
CID 113464217
9-butan-2-yl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957601

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione (CID 64971742) is 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione is CCC(CC)C(C)N1C(=O)C(CC)(CC)NC(=O)C1C.
What is the InChIKey of 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione?
The InChIKey is HZRHRPVFMVJSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-7-13(8-2)11(5)18-12(6)14(19)17-16(9-3,10-4)15(18)20/h11-13H,7-10H2,1-6H3,(H,17,19).
What are the key properties of 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione?
3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-ethylpentan-2-yl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64971742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).