3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

C11H18N2O3 — CID 62356817

IUPAC3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCC(CCO)C2)C(=O)N1
InChIInChI=1S/C11H18N2O3/c14-5-3-8-2-1-4-13(7-8)9-6-10(15)12-11(9)16/h8-9,14H,1-7H2,(H,12,15,16)
InChIKeyLZUPGUWCYSGPII-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.50
Rot. Bonds3

About 3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 62356817) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID62356817
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCC(CCO)C2)C(=O)N1
InChIInChI=1S/C11H18N2O3/c14-5-3-8-2-1-4-13(7-8)9-6-10(15)12-11(9)16/h8-9,14H,1-7H2,(H,12,15,16)
InChIKeyLZUPGUWCYSGPII-UHFFFAOYSA-N
XLogP-0.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione (CID 62356817) is 3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCCC(CCO)C2)C(=O)N1.
What is the InChIKey of 3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is LZUPGUWCYSGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-5-3-8-2-1-4-13(7-8)9-6-10(15)12-11(9)16/h8-9,14H,1-7H2,(H,12,15,16).
What are the key properties of 3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione?
3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 62356817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).