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

C17H23FN4O2 — CID 166472339

IUPAC3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione
SMILESCN(C)C1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C17H23FN4O2/c1-21(2)12-5-7-22(8-6-12)16-14(18)9-11(10-19-16)13-3-4-15(23)20-17(13)24/h9-10,12-13H,3-8H2,1-2H3,(H,20,23,24)
InChIKeyIPKGVXCNJXDEEG-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.27
Rot. Bonds3

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

3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione (PubChem CID 166472339) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione
PubChem CID166472339
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione
SMILESCN(C)C1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1
InChIInChI=1S/C17H23FN4O2/c1-21(2)12-5-7-22(8-6-12)16-14(18)9-11(10-19-16)13-3-4-15(23)20-17(13)24/h9-10,12-13H,3-8H2,1-2H3,(H,20,23,24)
InChIKeyIPKGVXCNJXDEEG-UHFFFAOYSA-N
XLogP1.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
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-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione (CID 166472339) is 3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione is CN(C)C1CCN(c2ncc(C3CCC(=O)NC3=O)cc2F)CC1.
What is the InChIKey of 3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is IPKGVXCNJXDEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-21(2)12-5-7-22(8-6-12)16-14(18)9-11(10-19-16)13-3-4-15(23)20-17(13)24/h9-10,12-13H,3-8H2,1-2H3,(H,20,23,24).
What are the key properties of 3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione?
3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 334.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(dimethylamino)piperidin-1-yl]-5-fluoro-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 166472339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).