3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C16H20FN3O3 — CID 166113598

IUPAC3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cnc(N3CCC(CO)CC3)c(F)c2)C(=O)N1
InChIInChI=1S/C16H20FN3O3/c17-13-7-11(12-1-2-14(22)19-16(12)23)8-18-15(13)20-5-3-10(9-21)4-6-20/h7-8,10,12,21H,1-6,9H2,(H,19,22,23)
InChIKeyIPOKWLJEODKRPG-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.95
Rot. Bonds3

About 3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166113598) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
PubChem CID166113598
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cnc(N3CCC(CO)CC3)c(F)c2)C(=O)N1
InChIInChI=1S/C16H20FN3O3/c17-13-7-11(12-1-2-14(22)19-16(12)23)8-18-15(13)20-5-3-10(9-21)4-6-20/h7-8,10,12,21H,1-6,9H2,(H,19,22,23)
InChIKeyIPOKWLJEODKRPG-UHFFFAOYSA-N
XLogP0.95
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]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-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 166113598) is 3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is O=C1CCC(c2cnc(N3CCC(CO)CC3)c(F)c2)C(=O)N1.
What is the InChIKey of 3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is IPOKWLJEODKRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-13-7-11(12-1-2-14(22)19-16(12)23)8-18-15(13)20-5-3-10(9-21)4-6-20/h7-8,10,12,21H,1-6,9H2,(H,19,22,23).
What are the key properties of 3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?
3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 321.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166113598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).