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

C23H24FN5O2 — CID 91887897

IUPAC3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1
InChIInChI=1S/C23H24FN5O2/c1-15(30)25-19-5-2-4-17(12-19)23(31)26-20-6-3-11-29(14-20)22-13-21(27-28-22)16-7-9-18(24)10-8-16/h2,4-5,7-10,12-13,20H,3,6,11,14H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyZHFZAQFHUCIPKL-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.57
Rot. Bonds5

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

3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (PubChem CID 91887897) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
PubChem CID91887897
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1
InChIInChI=1S/C23H24FN5O2/c1-15(30)25-19-5-2-4-17(12-19)23(31)26-20-6-3-11-29(14-20)22-13-21(27-28-22)16-7-9-18(24)10-8-16/h2,4-5,7-10,12-13,20H,3,6,11,14H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyZHFZAQFHUCIPKL-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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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The IUPAC name of 3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide (CID 91887897) is 3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide.
What is the SMILES notation for 3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The canonical SMILES for 3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is CC(=O)Nc1cccc(C(=O)NC2CCCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1.
What is the InChIKey of 3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
The InChIKey is ZHFZAQFHUCIPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-15(30)25-19-5-2-4-17(12-19)23(31)26-20-6-3-11-29(14-20)22-13-21(27-28-22)16-7-9-18(24)10-8-16/h2,4-5,7-10,12-13,20H,3,6,11,14H2,1H3,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of 3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide?
3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-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 3-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide is sourced from PubChem (CID 91887897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).