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

C16H28N2O2 — CID 64968282

IUPAC3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C2(C)CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-5-12-15(20)18(13(11(2)3)14(19)17-12)16(4)9-7-6-8-10-16/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyUIQVUOCOAAVIMD-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.47
Rot. Bonds3

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

3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64968282) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64968282
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C2(C)CCCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-5-12-15(20)18(13(11(2)3)14(19)17-12)16(4)9-7-6-8-10-16/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyUIQVUOCOAAVIMD-UHFFFAOYSA-N
XLogP2.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968328
3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973556
6-ethyl-1-(1-methylcyclopentyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64973563
1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 79878827
3-ethyl-3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968189
3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79351077
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959747
2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944933
1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64973712
3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64972041
3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 113482349

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64968282) is 3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(C2(C)CCCCC2)C1=O.
What is the InChIKey of 3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is UIQVUOCOAAVIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-12-15(20)18(13(11(2)3)14(19)17-12)16(4)9-7-6-8-10-16/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione?
3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64968282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).