4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide

C23H24FN5O2 — CID 75528414

IUPAC4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1
InChIInChI=1S/C23H24FN5O2/c1-15(30)25-19-8-4-17(5-9-19)23(31)26-20-10-12-29(13-11-20)22-14-21(27-28-22)16-2-6-18(24)7-3-16/h2-9,14,20H,10-13H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyFWNYFFFTKGOSEA-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.57
Rot. Bonds5

About 4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide

4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide (PubChem CID 75528414) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
PubChem CID75528414
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1
InChIInChI=1S/C23H24FN5O2/c1-15(30)25-19-8-4-17(5-9-19)23(31)26-20-10-12-29(13-11-20)22-14-21(27-28-22)16-2-6-18(24)7-3-16/h2-9,14,20H,10-13H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyFWNYFFFTKGOSEA-UHFFFAOYSA-N
XLogP3.57
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
4-acetamido-N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888039
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 75528402
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide
CID 75528432
3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528488
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91904890
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
3-fluoro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741564
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 99741627
3-chloro-4-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528340
2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528472
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-6-methylpyridine-3-carboxamide
CID 91904827

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The IUPAC name of 4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide (CID 75528414) is 4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide is CC(=O)Nc1ccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1.
What is the InChIKey of 4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
The InChIKey is FWNYFFFTKGOSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-15(30)25-19-8-4-17(5-9-19)23(31)26-20-10-12-29(13-11-20)22-14-21(27-28-22)16-2-6-18(24)7-3-16/h2-9,14,20H,10-13H2,1H3,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of 4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide?
4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide has a molecular weight of 421.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 75528414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).