6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione

C15H25N3O2 — CID 64966584

IUPAC6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1C1CCN2CCCC12
InChIInChI=1S/C15H25N3O2/c1-4-10-13(19)16-15(2,3)14(20)18(10)12-7-9-17-8-5-6-11(12)17/h10-12H,4-9H2,1-3H3,(H,16,19)
InChIKeyLJHBPIJKFINEGX-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.74
Rot. Bonds2

About 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione

6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64966584) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID64966584
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1C1CCN2CCCC12
InChIInChI=1S/C15H25N3O2/c1-4-10-13(19)16-15(2,3)14(20)18(10)12-7-9-17-8-5-6-11(12)17/h10-12H,4-9H2,1-3H3,(H,16,19)
InChIKeyLJHBPIJKFINEGX-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 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64958809
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3,6-diethylpiperazine-2,5-dione
CID 64966696
1-(3,5-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64973557
1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64973398
3,6-diethyl-3-methyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970369
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64966734
3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82737026
9-(2-bicyclo[2.2.1]heptanyl)-8-ethyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64972715
5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one
CID 83250294
1-(2,2-dimethylpropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964021
6-ethyl-3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967
8-ethyl-9-(7-oxabicyclo[2.2.1]heptan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 80725501

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione (CID 64966584) is 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1C1CCN2CCCC12.
What is the InChIKey of 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is LJHBPIJKFINEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-10-13(19)16-15(2,3)14(20)18(10)12-7-9-17-8-5-6-11(12)17/h10-12H,4-9H2,1-3H3,(H,16,19).
What are the key properties of 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione?
6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-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 6-ethyl-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64966584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).