1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione

C11H18N2O2 — CID 114504190

IUPAC1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione
SMILESCC1CN(C)CCC1N1CC(=O)CC1=O
InChIInChI=1S/C11H18N2O2/c1-8-6-12(2)4-3-10(8)13-7-9(14)5-11(13)15/h8,10H,3-7H2,1-2H3
InChIKeyTYEOSHVULILSMK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.13
Rot. Bonds1

About 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione

1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione (PubChem CID 114504190) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione
PubChem CID114504190
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione
SMILESCC1CN(C)CCC1N1CC(=O)CC1=O
InChIInChI=1S/C11H18N2O2/c1-8-6-12(2)4-3-10(8)13-7-9(14)5-11(13)15/h8,10H,3-7H2,1-2H3
InChIKeyTYEOSHVULILSMK-UHFFFAOYSA-N
XLogP0.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-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-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one
CID 114504246
1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 114506205
1-(1,3-dimethylpiperidin-4-yl)-3-(ethylamino)piperidin-2-one
CID 114506080
1-cyclooctylpyrrolidine-2,4-dione
CID 79516413
1-methyl-2,3,8,8a-tetrahydro-1H-indolizine-5,7-dione
CID 151645109
1-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2,4-dione
CID 79515396
3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 114507163
1-(1,1-dioxothiolan-3-yl)pyrrolidine-2,4-dione
CID 79517072
1-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-2,4-dione
CID 79516111
1,3-dimethyl-4-pyrrol-1-ylpiperidine
CID 114505789
1,3,4-trimethylpiperidine
CID 14454423
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione (CID 114504190) is 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione is CC1CN(C)CCC1N1CC(=O)CC1=O.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione?
The InChIKey is TYEOSHVULILSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-6-12(2)4-3-10(8)13-7-9(14)5-11(13)15/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione?
1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione is sourced from PubChem (CID 114504190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).