(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone

C22H21F2N3O — CID 2812424

IUPAC(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21F2N3O/c23-19-5-1-15(2-6-19)21-18(13-25-26-21)14-27-11-9-17(10-12-27)22(28)16-3-7-20(24)8-4-16/h1-8,13,17H,9-12,14H2,(H,25,26)
InChIKeySMVCTVAJINAZBI-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.45
Rot. Bonds5

About (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone (PubChem CID 2812424) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone
PubChem CID2812424
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21F2N3O/c23-19-5-1-15(2-6-19)21-18(13-25-26-21)14-27-11-9-17(10-12-27)22(28)16-3-7-20(24)8-4-16/h1-8,13,17H,9-12,14H2,(H,25,26)
InChIKeySMVCTVAJINAZBI-UHFFFAOYSA-N
XLogP4.45
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone (CID 2812424) is (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone?
The InChIKey is SMVCTVAJINAZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c23-19-5-1-15(2-6-19)21-18(13-25-26-21)14-27-11-9-17(10-12-27)22(28)16-3-7-20(24)8-4-16/h1-8,13,17H,9-12,14H2,(H,25,26).
What are the key properties of (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone has a molecular weight of 381.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 2812424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).