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

C15H19FN4O2 — CID 166471824

IUPAC3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione
SMILESNC1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C15H19FN4O2/c16-12-7-9(11-1-2-13(21)19-15(11)22)8-18-14(12)20-5-3-10(17)4-6-20/h7-8,10-11H,1-6,17H2,(H,19,21,22)
InChIKeyISFXLDQAKCYOOK-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.67
Rot. Bonds2

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

3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166471824) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione
PubChem CID166471824
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione
SMILESNC1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C15H19FN4O2/c16-12-7-9(11-1-2-13(21)19-15(11)22)8-18-14(12)20-5-3-10(17)4-6-20/h7-8,10-11H,1-6,17H2,(H,19,21,22)
InChIKeyISFXLDQAKCYOOK-UHFFFAOYSA-N
XLogP0.67
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
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-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione (CID 166471824) is 3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione is NC1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is ISFXLDQAKCYOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c16-12-7-9(11-1-2-13(21)19-15(11)22)8-18-14(12)20-5-3-10(17)4-6-20/h7-8,10-11H,1-6,17H2,(H,19,21,22).
What are the key properties of 3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione?
3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 306.34 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-aminopiperidin-1-yl)-5-fluoro-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166471824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).