3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione

C16H28N2O2 — CID 64973362

IUPAC3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(C2CCC(CC)C2C)C1=O
InChIInChI=1S/C16H28N2O2/c1-5-10(3)15-16(20)18(9-14(19)17-15)13-8-7-12(6-2)11(13)4/h10-13,15H,5-9H2,1-4H3,(H,17,19)
InChIKeyLOCUSUUYUQCLQI-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.18
Rot. Bonds4

About 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione

3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione (PubChem CID 64973362) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione
PubChem CID64973362
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(C2CCC(CC)C2C)C1=O
InChIInChI=1S/C16H28N2O2/c1-5-10(3)15-16(20)18(9-14(19)17-15)13-8-7-12(6-2)11(13)4/h10-13,15H,5-9H2,1-4H3,(H,17,19)
InChIKeyLOCUSUUYUQCLQI-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione with MolForge

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Related Compounds

5-butan-2-yl-2-ethyl-3-(3-ethyl-2-methylcyclopentyl)imidazolidin-4-one
CID 83259292
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64973457
3-butan-2-yl-1-(1,1-dioxothiolan-3-yl)piperazine-2,5-dione
CID 64957144
3-(3-ethyl-2-methylcyclopentyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83258722
3-butan-2-yl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881975
3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697451
3-butan-2-yl-1-(2-methylbutan-2-yl)piperazine-2,5-dione
CID 64958198
3-butan-2-yl-1-cycloheptyl-1,4-diazepane-2,5-dione
CID 64959828
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502
3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881503
3-butan-2-yl-1-(1-methylpiperidin-4-yl)-1,4-diazepane-2,5-dione
CID 64960078

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione (CID 64973362) is 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione is CCC(C)C1NC(=O)CN(C2CCC(CC)C2C)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione?
The InChIKey is LOCUSUUYUQCLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-10(3)15-16(20)18(9-14(19)17-15)13-8-7-12(6-2)11(13)4/h10-13,15H,5-9H2,1-4H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione?
3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(3-ethyl-2-methylcyclopentyl)piperazine-2,5-dione is sourced from PubChem (CID 64973362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).