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

C22H22FN3O — CID 2812596

IUPAC(4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C22H22FN3O/c23-20-8-6-17(7-9-20)22(27)18-10-12-26(13-11-18)15-19-14-24-25-21(19)16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H,24,25)
InChIKeyMFTNWRFCFFYOAH-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.31
Rot. Bonds5

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

(4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone (PubChem CID 2812596) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone
PubChem CID2812596
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name(4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(Cc2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C22H22FN3O/c23-20-8-6-17(7-9-20)22(27)18-10-12-26(13-11-18)15-19-14-24-25-21(19)16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H,24,25)
InChIKeyMFTNWRFCFFYOAH-UHFFFAOYSA-N
XLogP4.31
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.31
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-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone (CID 2812596) is (4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(Cc2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is MFTNWRFCFFYOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-20-8-6-17(7-9-20)22(27)18-10-12-26(13-11-18)15-19-14-24-25-21(19)16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H,24,25).
What are the key properties of (4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 363.44 g/mol, XLogP of 4.31, 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-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 2812596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).