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

C16H28N2O2 — CID 79878827

IUPAC1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C2CCCC2(C)C)C1=O
InChIInChI=1S/C16H28N2O2/c1-6-11-15(20)18(12-8-7-9-16(12,4)5)13(10(2)3)14(19)17-11/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyMHLMBPKAKNQOPX-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds3

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

1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 79878827) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID79878827
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C2CCCC2(C)C)C1=O
InChIInChI=1S/C16H28N2O2/c1-6-11-15(20)18(12-8-7-9-16(12,4)5)13(10(2)3)14(19)17-11/h10-13H,6-9H2,1-5H3,(H,17,19)
InChIKeyMHLMBPKAKNQOPX-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 79878671
3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79351077
3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968282
3-(2,2-dimethylcyclopentyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83270665
1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64973712
3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80731819
3-cyclopropyl-1-(2,2-dimethylcyclopentyl)-6-ethylpiperazine-2,5-dione
CID 79878905
5-butan-2-yl-3-(2,2-dimethylcyclopentyl)-2-ethylimidazolidin-4-one
CID 83271073
3-(2,2-dimethylcyclopentyl)-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 83270664
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
1-(2,2-dimethylcyclohexyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 79877831
1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64959767

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione (CID 79878827) is 1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(C2CCCC2(C)C)C1=O.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is MHLMBPKAKNQOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-11-15(20)18(12-8-7-9-16(12,4)5)13(10(2)3)14(19)17-11/h10-13H,6-9H2,1-5H3,(H,17,19).
What are the key properties of 1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione?
1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 79878827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).