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

C15H25N3O2 — CID 64958010

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C2CN3CCC2CC3)C1=O
InChIInChI=1S/C15H25N3O2/c1-9(2)13-14(19)16-10(3)15(20)18(13)12-8-17-6-4-11(12)5-7-17/h9-13H,4-8H2,1-3H3,(H,16,19)
InChIKeyWRRULMIKPDOZIJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.45
Rot. Bonds2

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

1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64958010) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64958010
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C2CN3CCC2CC3)C1=O
InChIInChI=1S/C15H25N3O2/c1-9(2)13-14(19)16-10(3)15(20)18(13)12-8-17-6-4-11(12)5-7-17/h9-13H,4-8H2,1-3H3,(H,16,19)
InChIKeyWRRULMIKPDOZIJ-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80732818
1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958000
3-methyl-1-(oxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64874478
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64958081
1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 79878671
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one
CID 83236937
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83237876
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one
CID 79396612
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776817
1-(2-methylcyclopropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64969350
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64966902

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione (CID 64958010) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(C2CN3CCC2CC3)C1=O.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is WRRULMIKPDOZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-9(2)13-14(19)16-10(3)15(20)18(13)12-8-17-6-4-11(12)5-7-17/h9-13H,4-8H2,1-3H3,(H,16,19).
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione?
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 279.38 g/mol, XLogP of 0.45, 2 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)-3-methyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64958010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).