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

C16H27N3O2 — CID 64966696

IUPAC1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(C2CCN3CCCCC23)C1=O
InChIInChI=1S/C16H27N3O2/c1-3-11-16(21)19(12(4-2)15(20)17-11)14-8-10-18-9-6-5-7-13(14)18/h11-14H,3-10H2,1-2H3,(H,17,20)
InChIKeyWLZUMYJGCRBVHS-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.13
Rot. Bonds3

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

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione (PubChem CID 64966696) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione
PubChem CID64966696
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(C2CCN3CCCCC23)C1=O
InChIInChI=1S/C16H27N3O2/c1-3-11-16(21)19(12(4-2)15(20)17-11)14-8-10-18-9-6-5-7-13(14)18/h11-14H,3-10H2,1-2H3,(H,17,20)
InChIKeyWLZUMYJGCRBVHS-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
3,6-diethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970415
1-(1-cyclopropylpyrrolidin-3-yl)-3,6-diethylpiperazine-2,5-dione
CID 64967253
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83249017
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2,5-dipropylimidazolidin-4-one
CID 83253643
6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione
CID 64966584
3,6-diethyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960183
6-ethyl-1-(2-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64959124
1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione
CID 82937316
5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one
CID 83250294
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione (CID 64966696) is 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(C2CCN3CCCCC23)C1=O.
What is the InChIKey of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione?
The InChIKey is WLZUMYJGCRBVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-11-16(21)19(12(4-2)15(20)17-11)14-8-10-18-9-6-5-7-13(14)18/h11-14H,3-10H2,1-2H3,(H,17,20).
What are the key properties of 1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione?
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione has a molecular weight of 293.41 g/mol, XLogP of 1.13, 3 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)-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64966696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).