1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one

C18H22FN3O2 — CID 46957140

IUPAC1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(Oc2ccccc2F)CC1)n1cccn1
InChIInChI=1S/C18H22FN3O2/c1-14(22-10-4-9-20-22)13-18(23)21-11-7-15(8-12-21)24-17-6-3-2-5-16(17)19/h2-6,9-10,14-15H,7-8,11-13H2,1H3
InChIKeyATBUUYOZBVTYPN-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.04
Rot. Bonds5

About 1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one

1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one (PubChem CID 46957140) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
PubChem CID46957140
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
SMILESCC(CC(=O)N1CCC(Oc2ccccc2F)CC1)n1cccn1
InChIInChI=1S/C18H22FN3O2/c1-14(22-10-4-9-20-22)13-18(23)21-11-7-15(8-12-21)24-17-6-3-2-5-16(17)19/h2-6,9-10,14-15H,7-8,11-13H2,1H3
InChIKeyATBUUYOZBVTYPN-UHFFFAOYSA-N
XLogP3.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92581702
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 90616906
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90616711
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide
CID 125448685
3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one
CID 119814869
3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119814868
2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163060
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[3-(2-fluorophenoxy)azetidin-1-yl]butan-1-one
CID 90651927
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981140

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one (CID 46957140) is 1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one is CC(CC(=O)N1CCC(Oc2ccccc2F)CC1)n1cccn1.
What is the InChIKey of 1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one?
The InChIKey is ATBUUYOZBVTYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-14(22-10-4-9-20-22)13-18(23)21-11-7-15(8-12-21)24-17-6-3-2-5-16(17)19/h2-6,9-10,14-15H,7-8,11-13H2,1H3.
What are the key properties of 1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one?
1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one has a molecular weight of 331.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 46957140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).