3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione

C16H20FN3O3 — CID 162725514

IUPAC3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCC(O)CC3)c(F)c2)C(=O)N1
InChIInChI=1S/C16H20FN3O3/c17-12-9-10(18-13-2-4-15(22)19-16(13)23)1-3-14(12)20-7-5-11(21)6-8-20/h1,3,9,11,13,18,21H,2,4-8H2,(H,19,22,23)
InChIKeyYCTYDNNTNFJTKT-UHFFFAOYSA-N
MW321.35 g/mol
LogP1.00
Rot. Bonds3

About 3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione

3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione (PubChem CID 162725514) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
PubChem CID162725514
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCC(O)CC3)c(F)c2)C(=O)N1
InChIInChI=1S/C16H20FN3O3/c17-12-9-10(18-13-2-4-15(22)19-16(13)23)1-3-14(12)20-7-5-11(21)6-8-20/h1,3,9,11,13,18,21H,2,4-8H2,(H,19,22,23)
InChIKeyYCTYDNNTNFJTKT-UHFFFAOYSA-N
XLogP1.00
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione?
The IUPAC name of 3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione (CID 162725514) is 3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione?
The canonical SMILES for 3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione is O=C1CCC(Nc2ccc(N3CCC(O)CC3)c(F)c2)C(=O)N1.
What is the InChIKey of 3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione?
The InChIKey is YCTYDNNTNFJTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-12-9-10(18-13-2-4-15(22)19-16(13)23)1-3-14(12)20-7-5-11(21)6-8-20/h1,3,9,11,13,18,21H,2,4-8H2,(H,19,22,23).
What are the key properties of 3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione?
3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione has a molecular weight of 321.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(4-hydroxypiperidin-1-yl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 162725514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).