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

C13H24N2O2 — CID 65043309

IUPAC1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCC(CC)(CC)N1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C13H24N2O2/c1-6-13(7-2,8-3)15-10(5)11(16)14-9(4)12(15)17/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyDFWVSOIXUACCIB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.69
Rot. Bonds4

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

1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione (PubChem CID 65043309) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
PubChem CID65043309
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
SMILESCCC(CC)(CC)N1C(=O)C(C)NC(=O)C1C
InChIInChI=1S/C13H24N2O2/c1-6-13(7-2,8-3)15-10(5)11(16)14-9(4)12(15)17/h9-10H,6-8H2,1-5H3,(H,14,16)
InChIKeyDFWVSOIXUACCIB-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 65043356
3-cyclopropyl-1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043459
(3S,6S,9S,12S,15R)-1,3,4,6,7,9,10,12,15-nonamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149567
3-butan-2-yl-6-methyl-1-(3-methylpentan-3-yl)piperazine-2,5-dione
CID 106329188
3,6-dimethyl-1-(2-methylcyclohexyl)piperazine-2,5-dione
CID 64959112
6-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64872906
3-ethyl-6-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
CID 64972480
3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
CID 65043214
3-cyclopropyl-1-ethyl-6-methylpiperazine-2,5-dione
CID 64885417
1-(cyclopentylmethyl)-6-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64874680
(3S,6S,9R,12S,15S)-3,6,9,12,15-pentamethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 102149559
1-(1-methoxypentan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 64972792

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione (CID 65043309) is 1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione is CCC(CC)(CC)N1C(=O)C(C)NC(=O)C1C.
What is the InChIKey of 1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is DFWVSOIXUACCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-13(7-2,8-3)15-10(5)11(16)14-9(4)12(15)17/h9-10H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione?
1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 65043309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).