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'}

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Related Compounds

1-[5-[(3R)-2,6-dioxopiperidin-3-yl]-3-fluoro-2-pyridinyl]piperidine-4-carbaldehyde
CID 171774160
3-[5-fluoro-6-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166471840
2-[1-[5-[(2,6-dioxopiperidin-3-yl)amino]-3-fluoro-2-pyridinyl]piperidin-4-yl]acetic acid
CID 166472355
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962
1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882341
3-[4-[4-[[(4-aminocyclohexyl)methylamino]methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 167463189
3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
CID 167463182
3-[4-[4-[(ethenylamino)methyl]piperidin-1-yl]-3-fluorophenyl]piperidine-2,6-dione
CID 178116403
3-[5-[4-(2-methylpropyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 178116295
3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170325363
2-[1-[5-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-3-fluoro-2-pyridinyl]-4-hydroxypiperidin-4-yl]acetic acid
CID 156505941

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).