1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione

C11H18N2O2 — CID 3106524

IUPAC1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN(C2CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C11H18N2O2/c1-8-3-5-13(6-4-8)9-7-10(14)12(2)11(9)15/h8-9H,3-7H2,1-2H3
InChIKeyCJNTXLWWVUVPBO-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.48
Rot. Bonds1

About 1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione

1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 3106524) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID3106524
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN(C2CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C11H18N2O2/c1-8-3-5-13(6-4-8)9-7-10(14)12(2)11(9)15/h8-9H,3-7H2,1-2H3
InChIKeyCJNTXLWWVUVPBO-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Pyrrolidine-2,5-dione, 1-dimethylamino-3-(1-piperidinyl)-
CID 574220
1-(2,5-Dioxoazolidin-3-yl)piperidine-4-carboxamide
CID 2877348
Methyl 1-(1-ethyl-2,5-dioxo-3-pyrrolidinyl)-4-piperidinecarboxylate
CID 2982548
1'-(1-Methyl-2,5-dioxopyrrolidin-3-yl)-1,4'-bipiperidine-4'-carboxamide
CID 586837
3-[4-(1-Azepanylcarbonyl)-1-piperidinyl]-1-ethyl-2,5-pyrrolidinedione
CID 2980623
1-(1-Methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 2859665
3-[4-(1-Piperidinylcarbonyl)-1-piperidinyl]-2,5-pyrrolidinedione
CID 2979075
1-Cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
3-Methyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
CID 127038269
3,3-Dimethyl-1-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidine-2,5-dione
CID 127039282
1'-(1-Ethyl-2,5-dioxopyrrolidin-3-yl)-1,4'-bipiperidine-4'-carboxamide
CID 3845022
1-Ethyl-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2991391

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (CID 3106524) is 1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is CC1CCN(C2CC(=O)N(C)C2=O)CC1.
What is the InChIKey of 1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is CJNTXLWWVUVPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-3-5-13(6-4-8)9-7-10(14)12(2)11(9)15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 210.28 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3106524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).