2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide

C22H22ClFN4O — CID 75528188

IUPAC2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C22H22ClFN4O/c23-18-7-4-8-19(24)17(18)13-22(29)25-16-9-11-28(12-10-16)21-14-20(26-27-21)15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H,25,29)(H,26,27)
InChIKeyRPZSFZLTWITRCF-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.20
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide (PubChem CID 75528188) has the molecular formula C22H22ClFN4O and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide
PubChem CID75528188
Molecular FormulaC22H22ClFN4O
Molecular Weight412.90 g/mol
Exact Mass412.15
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1
InChIInChI=1S/C22H22ClFN4O/c23-18-7-4-8-19(24)17(18)13-22(29)25-16-9-11-28(12-10-16)21-14-20(26-27-21)15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H,25,29)(H,26,27)
InChIKeyRPZSFZLTWITRCF-UHFFFAOYSA-N
XLogP4.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 339736
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N-[5-(4-Chloro-phenyl)-2H-pyrazol-3-yl]-2-phenyl-acetamide
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N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
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N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]cyclohexanecarboxamide
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3-fluoro-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}benzamide
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3-chloro-N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}benzamide
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N-[5-(4-Chloro-phenyl)-2H-pyrazol-3-yl]-3-phenyl-propionamide
CID 10969426
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 24997749
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
CID 24998043
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide (CID 75528188) is 2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide is O=C(Cc1c(F)cccc1Cl)NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide?
The InChIKey is RPZSFZLTWITRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O/c23-18-7-4-8-19(24)17(18)13-22(29)25-16-9-11-28(12-10-16)21-14-20(26-27-21)15-5-2-1-3-6-15/h1-8,14,16H,9-13H2,(H,25,29)(H,26,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide has a molecular weight of 412.90 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 75528188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).