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

C22H23FN4O — CID 99756596

IUPAC2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C22H23FN4O/c23-18-10-8-16(9-11-18)13-22(28)24-19-7-4-12-27(15-19)21-14-20(25-26-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,14,19H,4,7,12-13,15H2,(H,24,28)(H,25,26)/t19-/m1/s1
InChIKeyMDYKFAXUGRKNFX-LJQANCHMSA-N
MW378.45 g/mol
LogP3.54
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide (PubChem CID 99756596) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
PubChem CID99756596
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1
InChIInChI=1S/C22H23FN4O/c23-18-10-8-16(9-11-18)13-22(28)24-19-7-4-12-27(15-19)21-14-20(25-26-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,14,19H,4,7,12-13,15H2,(H,24,28)(H,25,26)/t19-/m1/s1
InChIKeyMDYKFAXUGRKNFX-LJQANCHMSA-N
XLogP3.54
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783
2-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740846
2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756157
2,5-difluoro-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740772
2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741612
N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-phenylacetamide
CID 99741278
2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740798
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99740991
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
2-(3,4-diethoxyphenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741584
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99740951
2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
CID 99741748

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide (CID 99756596) is 2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide is O=C(Cc1ccc(F)cc1)N[C@@H]1CCCN(c2cc(-c3ccccc3)[nH]n2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The InChIKey is MDYKFAXUGRKNFX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-18-10-8-16(9-11-18)13-22(28)24-19-7-4-12-27(15-19)21-14-20(25-26-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,14,19H,4,7,12-13,15H2,(H,24,28)(H,25,26)/t19-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide has a molecular weight of 378.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 99756596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).