3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione

C13H22N2O2 — CID 71175714

IUPAC3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(CCN2CCCCC2)C(=O)C1C
InChIInChI=1S/C13H22N2O2/c1-10-11(2)13(17)15(12(10)16)9-8-14-6-4-3-5-7-14/h10-11H,3-9H2,1-2H3
InChIKeyHUYRNDQGLFYZRU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.11
Rot. Bonds3

About 3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione

3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione (PubChem CID 71175714) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
PubChem CID71175714
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
SMILESCC1C(=O)N(CCN2CCCCC2)C(=O)C1C
InChIInChI=1S/C13H22N2O2/c1-10-11(2)13(17)15(12(10)16)9-8-14-6-4-3-5-7-14/h10-11H,3-9H2,1-2H3
InChIKeyHUYRNDQGLFYZRU-UHFFFAOYSA-N
XLogP1.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.11
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 3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione (CID 71175714) is 3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione is CC1C(=O)N(CCN2CCCCC2)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is HUYRNDQGLFYZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-11(2)13(17)15(12(10)16)9-8-14-6-4-3-5-7-14/h10-11H,3-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 71175714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).