3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione

C14H19N3O3 — CID 82908048

IUPAC3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C)N(CCn2ccccc2=O)C1=O
InChIInChI=1S/C14H19N3O3/c1-10-12(19)17(14(2,3)13(20)15-10)9-8-16-7-5-4-6-11(16)18/h4-7,10H,8-9H2,1-3H3,(H,15,20)
InChIKeyIASAOSUKXFNWIF-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.03
Rot. Bonds3

About 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione

3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione (PubChem CID 82908048) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione
PubChem CID82908048
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione
SMILESCC1NC(=O)C(C)(C)N(CCn2ccccc2=O)C1=O
InChIInChI=1S/C14H19N3O3/c1-10-12(19)17(14(2,3)13(20)15-10)9-8-16-7-5-4-6-11(16)18/h4-7,10H,8-9H2,1-3H3,(H,15,20)
InChIKeyIASAOSUKXFNWIF-UHFFFAOYSA-N
XLogP-0.03
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-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

1-[(2-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875282
1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 64873314
1-[2-[(2,3-dimethylcyclopentyl)amino]ethyl]pyridin-2-one
CID 82896746
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
1-[(2,5-dimethylphenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64873316
1-[2-[(3,4-dimethylcyclohexyl)amino]ethyl]pyridin-2-one
CID 82898063
1-[2-(2,5,5-trimethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82908045
3-ethyl-6,6-dimethyl-1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64901859
3,6,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 79260645
1-[2-(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)ethyl]pyridin-2-one
CID 82907745
1-[2-[(1-methylcyclopentyl)amino]ethyl]pyridin-2-one
CID 82897665
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]pyridin-2-one
CID 115714054

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione (CID 82908048) is 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione is CC1NC(=O)C(C)(C)N(CCn2ccccc2=O)C1=O.
What is the InChIKey of 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione?
The InChIKey is IASAOSUKXFNWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-12(19)17(14(2,3)13(20)15-10)9-8-16-7-5-4-6-11(16)18/h4-7,10H,8-9H2,1-3H3,(H,15,20).
What are the key properties of 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione?
3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione has a molecular weight of 277.32 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 82908048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).