1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione

C15H25N3O2 — CID 64966734

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C2CCN3CCCCC23)C1=O
InChIInChI=1S/C15H25N3O2/c1-3-15(2)14(20)18(10-13(19)16-15)12-7-9-17-8-5-4-6-11(12)17/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeyFRKLFHIEAIDHLI-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.74
Rot. Bonds2

About 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64966734) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64966734
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C2CCN3CCCCC23)C1=O
InChIInChI=1S/C15H25N3O2/c1-3-15(2)14(20)18(10-13(19)16-15)12-7-9-17-8-5-4-6-11(12)17/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeyFRKLFHIEAIDHLI-UHFFFAOYSA-N
XLogP0.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
CID 64956879
1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 114506205
3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione
CID 64967320
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,4-diazepane-2,5-dione
CID 64966804
1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64957155
6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione
CID 64966584
1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 64944847
1-(1-azabicyclo[2.2.2]octan-3-yl)-3,3-dimethylpiperazine-2,5-dione
CID 64957953
5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one
CID 83250294
3-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
CID 64972482
3-cyclohexyl-5-ethyl-5-methylimidazolidin-4-one
CID 83243038
1-cyclohexyl-3,3-diethylpiperazine-2,5-dione
CID 64958892

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione (CID 64966734) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione is CCC1(C)NC(=O)CN(C2CCN3CCCCC23)C1=O.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is FRKLFHIEAIDHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-15(2)14(20)18(10-13(19)16-15)12-7-9-17-8-5-4-6-11(12)17/h11-12H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 279.38 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64966734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).