1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione

C11H18N2O3 — CID 60745321

IUPAC1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCC(O)CC1
InChIInChI=1S/C11H18N2O3/c14-9-3-5-12(6-4-9)7-8-13-10(15)1-2-11(13)16/h9,14H,1-8H2
InChIKeyLCQNLXVLGXBNAT-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.41
Rot. Bonds3

About 1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione

1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 60745321) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID60745321
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCN1CCC(O)CC1
InChIInChI=1S/C11H18N2O3/c14-9-3-5-12(6-4-9)7-8-13-10(15)1-2-11(13)16/h9,14H,1-8H2
InChIKeyLCQNLXVLGXBNAT-UHFFFAOYSA-N
XLogP-0.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
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 1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 60745321) is 1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCN1CCC(O)CC1.
What is the InChIKey of 1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is LCQNLXVLGXBNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-9-3-5-12(6-4-9)7-8-13-10(15)1-2-11(13)16/h9,14H,1-8H2.
What are the key properties of 1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxypiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 60745321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).