3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione

C16H28N2O2 — CID 107415608

IUPAC3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1CC1CCC(C)C1
InChIInChI=1S/C16H28N2O2/c1-5-13-14(19)17-16(4,6-2)15(20)18(13)10-12-8-7-11(3)9-12/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyJCFTXOHXCLPKHT-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds4

About 3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione

3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione (PubChem CID 107415608) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione
PubChem CID107415608
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(CC)C(=O)N1CC1CCC(C)C1
InChIInChI=1S/C16H28N2O2/c1-5-13-14(19)17-16(4,6-2)15(20)18(13)10-12-8-7-11(3)9-12/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyJCFTXOHXCLPKHT-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376
1-(cyclobutylmethyl)-3-ethyl-3-methyl-6-propylpiperazine-2,5-dione
CID 65460685
5-ethyl-5-methyl-3-[(3-methylcyclopentyl)methyl]-2-propylimidazolidin-4-one
CID 107416112
3,6-diethyl-3-methyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64886046
3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64887574
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
3-ethyl-3,6-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972263
6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107415616
3,6-diethyl-3-methyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970369
3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82737026
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
1-benzyl-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64887381

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione (CID 107415608) is 3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione is CCC1C(=O)NC(C)(CC)C(=O)N1CC1CCC(C)C1.
What is the InChIKey of 3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione?
The InChIKey is JCFTXOHXCLPKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-13-14(19)17-16(4,6-2)15(20)18(13)10-12-8-7-11(3)9-12/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione?
3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 107415608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).