3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione

C15H19FN4O2 — CID 175479709

IUPAC3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione
SMILESO=C1CCC(NC2=CC(F)=C(C3=CCNCC3)NC2)C(=O)N1
InChIInChI=1S/C15H19FN4O2/c16-11-7-10(19-12-1-2-13(21)20-15(12)22)8-18-14(11)9-3-5-17-6-4-9/h3,7,12,17-19H,1-2,4-6,8H2,(H,20,21,22)
InChIKeyAQOBKTMYBDGUSM-UHFFFAOYSA-N
MW306.34 g/mol
LogP-0.03
Rot. Bonds3

About 3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione

3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione (PubChem CID 175479709) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione
PubChem CID175479709
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione
SMILESO=C1CCC(NC2=CC(F)=C(C3=CCNCC3)NC2)C(=O)N1
InChIInChI=1S/C15H19FN4O2/c16-11-7-10(19-12-1-2-13(21)20-15(12)22)8-18-14(11)9-3-5-17-6-4-9/h3,7,12,17-19H,1-2,4-6,8H2,(H,20,21,22)
InChIKeyAQOBKTMYBDGUSM-UHFFFAOYSA-N
XLogP-0.03
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione (CID 175479709) is 3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione is O=C1CCC(NC2=CC(F)=C(C3=CCNCC3)NC2)C(=O)N1.
What is the InChIKey of 3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione?
The InChIKey is AQOBKTMYBDGUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c16-11-7-10(19-12-1-2-13(21)20-15(12)22)8-18-14(11)9-3-5-17-6-4-9/h3,7,12,17-19H,1-2,4-6,8H2,(H,20,21,22).
What are the key properties of 3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione?
3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione has a molecular weight of 306.34 g/mol, XLogP of -0.03, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyridin-3-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 175479709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).