3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione

C13H21N3O2 — CID 55169145

IUPAC3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2C2CCCN2)C(=O)N1
InChIInChI=1S/C13H21N3O2/c17-12-8-11(13(18)15-12)16-7-2-1-5-10(16)9-4-3-6-14-9/h9-11,14H,1-8H2,(H,15,17,18)
InChIKeyXVUNEFKWDVLZQV-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.01
Rot. Bonds2

About 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione

3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 55169145) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID55169145
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCCC2C2CCCN2)C(=O)N1
InChIInChI=1S/C13H21N3O2/c17-12-8-11(13(18)15-12)16-7-2-1-5-10(16)9-4-3-6-14-9/h9-11,14H,1-8H2,(H,15,17,18)
InChIKeyXVUNEFKWDVLZQV-UHFFFAOYSA-N
XLogP0.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione (CID 55169145) is 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione is O=C1CC(N2CCCCC2C2CCCN2)C(=O)N1.
What is the InChIKey of 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is XVUNEFKWDVLZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-12-8-11(13(18)15-12)16-7-2-1-5-10(16)9-4-3-6-14-9/h9-11,14H,1-8H2,(H,15,17,18).
What are the key properties of 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione?
3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 251.33 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 55169145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).