1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone

C15H18FN3O — CID 23048217

IUPAC1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nn(C)c3cc(F)ccc23)CC1
InChIInChI=1S/C15H18FN3O/c1-10(20)19-7-5-11(6-8-19)15-13-4-3-12(16)9-14(13)18(2)17-15/h3-4,9,11H,5-8H2,1-2H3
InChIKeyXFNYSUSLNKLIKT-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.44
Rot. Bonds1

About 1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone

1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 23048217) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone
PubChem CID23048217
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nn(C)c3cc(F)ccc23)CC1
InChIInChI=1S/C15H18FN3O/c1-10(20)19-7-5-11(6-8-19)15-13-4-3-12(16)9-14(13)18(2)17-15/h3-4,9,11H,5-8H2,1-2H3
InChIKeyXFNYSUSLNKLIKT-UHFFFAOYSA-N
XLogP2.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone (CID 23048217) is 1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nn(C)c3cc(F)ccc23)CC1.
What is the InChIKey of 1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is XFNYSUSLNKLIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10(20)19-7-5-11(6-8-19)15-13-4-3-12(16)9-14(13)18(2)17-15/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone?
1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 275.33 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 23048217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).