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

C11H18N2O2 — CID 813315

IUPAC(3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN([C@@H]2CC(=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/t9-/m1/s1
InChIKeyCJNTXLWWVUVPBO-SECBINFHSA-N
MW210.28 g/mol
LogP0.48
Rot. Bonds1

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

(3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 813315) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID813315
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN([C@@H]2CC(=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/t9-/m1/s1
InChIKeyCJNTXLWWVUVPBO-SECBINFHSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (CID 813315) is (3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is CC1CCN([C@@H]2CC(=O)N(C)C2=O)CC1.
What is the InChIKey of (3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is CJNTXLWWVUVPBO-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of (3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
(3R)-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 (3R)-1-methyl-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 813315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).