1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

C16H27N3O2 — CID 64958000

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C1CN2CCC1CC2
InChIInChI=1S/C16H27N3O2/c1-4-12-15(20)17-14(10(2)3)16(21)19(12)13-9-18-7-5-11(13)6-8-18/h10-14H,4-9H2,1-3H3,(H,17,20)
InChIKeyQJSRZXCIJRHWIN-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.84
Rot. Bonds3

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione

1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64958000) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64958000
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C1CN2CCC1CC2
InChIInChI=1S/C16H27N3O2/c1-4-12-15(20)17-14(10(2)3)16(21)19(12)13-9-18-7-5-11(13)6-8-18/h10-14H,4-9H2,1-3H3,(H,17,20)
InChIKeyQJSRZXCIJRHWIN-UHFFFAOYSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
6-ethyl-1-(1-methylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964568
6-ethyl-1-(4-ethylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964865
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958010
6-ethyl-1-(1-ethylpiperidin-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965128
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83237876
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one
CID 83236937
6-ethyl-1-(4-methoxybutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64973001
3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79360326
6-ethyl-1-(2-methylpentyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64872873
6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione (CID 64958000) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1C1CN2CCC1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is QJSRZXCIJRHWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-12-15(20)17-14(10(2)3)16(21)19(12)13-9-18-7-5-11(13)6-8-18/h10-14H,4-9H2,1-3H3,(H,17,20).
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione?
1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 293.41 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64958000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).