6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one

C18H19FN2O4 — CID 154788980

IUPAC6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
SMILESCOc1cccc(C2(F)CCN(C(=O)c3cc(O)cc(=O)[nH]3)CC2)c1
InChIInChI=1S/C18H19FN2O4/c1-25-14-4-2-3-12(9-14)18(19)5-7-21(8-6-18)17(24)15-10-13(22)11-16(23)20-15/h2-4,9-11H,5-8H2,1H3,(H2,20,22,23)
InChIKeyWBTWWGMYIWLDFW-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.19
Rot. Bonds3

About 6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one

6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (PubChem CID 154788980) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
PubChem CID154788980
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
SMILESCOc1cccc(C2(F)CCN(C(=O)c3cc(O)cc(=O)[nH]3)CC2)c1
InChIInChI=1S/C18H19FN2O4/c1-25-14-4-2-3-12(9-14)18(19)5-7-21(8-6-18)17(24)15-10-13(22)11-16(23)20-15/h2-4,9-11H,5-8H2,1H3,(H2,20,22,23)
InChIKeyWBTWWGMYIWLDFW-UHFFFAOYSA-N
XLogP2.19
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one (CID 154788980) is 6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is COc1cccc(C2(F)CCN(C(=O)c3cc(O)cc(=O)[nH]3)CC2)c1.
What is the InChIKey of 6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
The InChIKey is WBTWWGMYIWLDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-25-14-4-2-3-12(9-14)18(19)5-7-21(8-6-18)17(24)15-10-13(22)11-16(23)20-15/h2-4,9-11H,5-8H2,1H3,(H2,20,22,23).
What are the key properties of 6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one?
6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one has a molecular weight of 346.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-4-(3-methoxyphenyl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 154788980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).