1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone

C16H18FN3O — CID 133300512

IUPAC1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C16H18FN3O/c1-11(21)16-13(17)3-2-4-15(16)20-9-6-12(7-10-20)14-5-8-18-19-14/h2-5,8,12H,6-7,9-10H2,1H3,(H,18,19)
InChIKeyOLVPAEITPBFAEL-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.14
Rot. Bonds3

About 1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone

1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone (PubChem CID 133300512) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone
PubChem CID133300512
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C16H18FN3O/c1-11(21)16-13(17)3-2-4-15(16)20-9-6-12(7-10-20)14-5-8-18-19-14/h2-5,8,12H,6-7,9-10H2,1H3,(H,18,19)
InChIKeyOLVPAEITPBFAEL-UHFFFAOYSA-N
XLogP3.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-cyclohexyloxypiperidin-1-yl)-6-fluorophenyl]ethanone
CID 133278302
(3S)-1-(2-acetyl-3-fluorophenyl)pyrrolidine-3-carboxamide
CID 94434168
1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanone
CID 28787522
1-[2-fluoro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112692568
1-[2-fluoro-6-(4-propylazepan-1-yl)phenyl]ethanone
CID 62076817
1-[2-fluoro-6-(1,4-thiazepan-4-yl)phenyl]ethanone
CID 61419831
1-[4-(2-acetyl-3-fluorophenyl)piperazin-1-yl]propan-1-one
CID 133285215
1-[2-fluoro-6-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]phenyl]ethanone
CID 97340593
1-[2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]ethanone
CID 133275817
1-(2-acetyl-3-fluorophenyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
CID 55922409
1-[[1-(2-acetyl-3-fluorophenyl)piperidin-4-yl]methyl]piperidin-2-one
CID 99799044
1-[2-fluoro-6-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanone
CID 62974493

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone (CID 133300512) is 1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone is CC(=O)c1c(F)cccc1N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone?
The InChIKey is OLVPAEITPBFAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(21)16-13(17)3-2-4-15(16)20-9-6-12(7-10-20)14-5-8-18-19-14/h2-5,8,12H,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of 1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone?
1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone has a molecular weight of 287.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-[4-(1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone is sourced from PubChem (CID 133300512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).