3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C14H14N2O4 — CID 164584415

IUPAC3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CO)cc3C2=O)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-7-8-1-2-9-6-16(14(20)10(9)5-8)11-3-4-12(18)15-13(11)19/h1-2,5,11,17H,3-4,6-7H2,(H,15,18,19)
InChIKeyFHXJRFUBKKGFJA-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.06
Rot. Bonds2

About 3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 164584415) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID164584415
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccc(CO)cc3C2=O)C(=O)N1
InChIInChI=1S/C14H14N2O4/c17-7-8-1-2-9-6-16(14(20)10(9)5-8)11-3-4-12(18)15-13(11)19/h1-2,5,11,17H,3-4,6-7H2,(H,15,18,19)
InChIKeyFHXJRFUBKKGFJA-UHFFFAOYSA-N
XLogP-0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-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-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 164584415) is 3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3ccc(CO)cc3C2=O)C(=O)N1.
What is the InChIKey of 3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FHXJRFUBKKGFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-7-8-1-2-9-6-16(14(20)10(9)5-8)11-3-4-12(18)15-13(11)19/h1-2,5,11,17H,3-4,6-7H2,(H,15,18,19).
What are the key properties of 3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 274.28 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 164584415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).