5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one

C10H13FN2O2 — CID 145341690

IUPAC5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one
SMILESO=c1ccc(O[C@@H]2CCNC[C@@H]2F)c[nH]1
InChIInChI=1S/C10H13FN2O2/c11-8-6-12-4-3-9(8)15-7-1-2-10(14)13-5-7/h1-2,5,8-9,12H,3-4,6H2,(H,13,14)/t8-,9+/m0/s1
InChIKeyDDNCGZGSTXWPIA-DTWKUNHWSA-N
MW212.22 g/mol
LogP0.45
Rot. Bonds2

About 5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one

5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one (PubChem CID 145341690) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one
PubChem CID145341690
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one
SMILESO=c1ccc(O[C@@H]2CCNC[C@@H]2F)c[nH]1
InChIInChI=1S/C10H13FN2O2/c11-8-6-12-4-3-9(8)15-7-1-2-10(14)13-5-7/h1-2,5,8-9,12H,3-4,6H2,(H,13,14)/t8-,9+/m0/s1
InChIKeyDDNCGZGSTXWPIA-DTWKUNHWSA-N
XLogP0.45
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one?
The IUPAC name of 5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one (CID 145341690) is 5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one?
The canonical SMILES for 5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one is O=c1ccc(O[C@@H]2CCNC[C@@H]2F)c[nH]1.
What is the InChIKey of 5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one?
The InChIKey is DDNCGZGSTXWPIA-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-8-6-12-4-3-9(8)15-7-1-2-10(14)13-5-7/h1-2,5,8-9,12H,3-4,6H2,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of 5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one?
5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one has a molecular weight of 212.22 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-1H-pyridin-2-one is sourced from PubChem (CID 145341690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).