3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one

C16H18FN3O2 — CID 71996898

IUPAC3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCc1ccc(F)c(OC2CCCN(c3cnn(C)c3)C2=O)c1
InChIInChI=1S/C16H18FN3O2/c1-11-5-6-13(17)15(8-11)22-14-4-3-7-20(16(14)21)12-9-18-19(2)10-12/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyBVDQAYPLZZTAEO-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.44
Rot. Bonds3

About 3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 71996898) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID71996898
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCc1ccc(F)c(OC2CCCN(c3cnn(C)c3)C2=O)c1
InChIInChI=1S/C16H18FN3O2/c1-11-5-6-13(17)15(8-11)22-14-4-3-7-20(16(14)21)12-9-18-19(2)10-12/h5-6,8-10,14H,3-4,7H2,1-2H3
InChIKeyBVDQAYPLZZTAEO-UHFFFAOYSA-N
XLogP2.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 71996898) is 3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one is Cc1ccc(F)c(OC2CCCN(c3cnn(C)c3)C2=O)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is BVDQAYPLZZTAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-5-6-13(17)15(8-11)22-14-4-3-7-20(16(14)21)12-9-18-19(2)10-12/h5-6,8-10,14H,3-4,7H2,1-2H3.
What are the key properties of 3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 303.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenoxy)-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 71996898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).