1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone

C16H18FN3O — CID 133275817

IUPAC1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCCC(n2cccn2)C1
InChIInChI=1S/C16H18FN3O/c1-12(21)16-14(17)6-2-7-15(16)19-9-3-5-13(11-19)20-10-4-8-18-20/h2,4,6-8,10,13H,3,5,9,11H2,1H3
InChIKeyVXASHSYGBTXOKI-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.07
Rot. Bonds3

About 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone

1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone (PubChem CID 133275817) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
PubChem CID133275817
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCCC(n2cccn2)C1
InChIInChI=1S/C16H18FN3O/c1-12(21)16-14(17)6-2-7-15(16)19-9-3-5-13(11-19)20-10-4-8-18-20/h2,4,6-8,10,13H,3,5,9,11H2,1H3
InChIKeyVXASHSYGBTXOKI-UHFFFAOYSA-N
XLogP3.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-6-fluorophenyl]ethanone
CID 63151021
1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone
CID 97340593
1-[4-methylsulfonyl-3-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
CID 75476482
2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133275758
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-[2-fluoro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 62974493
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanone
CID 61419831
N-[(3R)-1-(2-acetyl-3-fluorophenyl)piperidin-3-yl]butanamide
CID 96567414
1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817
1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
CID 28787522
2-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone (CID 133275817) is 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone is CC(=O)c1c(F)cccc1N1CCCC(n2cccn2)C1.
What is the InChIKey of 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is VXASHSYGBTXOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-12(21)16-14(17)6-2-7-15(16)19-9-3-5-13(11-19)20-10-4-8-18-20/h2,4,6-8,10,13H,3,5,9,11H2,1H3.
What are the key properties of 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone?
1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 287.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 133275817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).