3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione

C13H24N2O2 — CID 64901263

IUPAC3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CC(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-10-13(17)15(7-8(2)3)11(9(4)5)12(16)14-10/h8-11H,6-7H2,1-5H3,(H,14,16)
InChIKeyDGGKJEMRYHSRDD-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.40
Rot. Bonds4

About 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64901263) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64901263
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(CC(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-10-13(17)15(7-8(2)3)11(9(4)5)12(16)14-10/h8-11H,6-7H2,1-5H3,(H,14,16)
InChIKeyDGGKJEMRYHSRDD-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64972041
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 115943732
3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79351077
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 106409230
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64903182
3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64963527
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959747
3-ethyl-1-[(5-methyloxolan-2-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 103141807

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64901263) is 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(CC(C)C)C1=O.
What is the InChIKey of 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is DGGKJEMRYHSRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-10-13(17)15(7-8(2)3)11(9(4)5)12(16)14-10/h8-11H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64901263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).