2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone

C22H21F2N3O — CID 71842289

IUPAC2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C22H21F2N3O/c23-19-4-1-3-16(11-19)12-22(28)26-9-7-17(8-10-26)18-14-25-27(15-18)21-6-2-5-20(24)13-21/h1-6,11,13-15,17H,7-10,12H2
InChIKeyZJQOPTILXFJMIS-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.10
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone (PubChem CID 71842289) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
PubChem CID71842289
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C22H21F2N3O/c23-19-4-1-3-16(11-19)12-22(28)26-9-7-17(8-10-26)18-14-25-27(15-18)21-6-2-5-20(24)13-21/h1-6,11,13-15,17H,7-10,12H2
InChIKeyZJQOPTILXFJMIS-UHFFFAOYSA-N
XLogP4.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
CID 53149268
1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 71842280
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
CID 53149302
2-(3-fluorophenyl)-1-(4-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 118775431
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
[4-[1-(3-methylphenyl)pyrazol-4-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 83277174
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone
CID 171999192
4-[1-[2-(3-fluorophenyl)acetyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 113003789

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone (CID 71842289) is 2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone?
The InChIKey is ZJQOPTILXFJMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c23-19-4-1-3-16(11-19)12-22(28)26-9-7-17(8-10-26)18-14-25-27(15-18)21-6-2-5-20(24)13-21/h1-6,11,13-15,17H,7-10,12H2.
What are the key properties of 2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 381.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71842289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).