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

C24H27FN4O2 — CID 75528428

IUPAC2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1
InChIInChI=1S/C24H27FN4O2/c1-2-31-21-9-3-17(4-10-21)15-24(30)26-20-11-13-29(14-12-20)23-16-22(27-28-23)18-5-7-19(25)8-6-18/h3-10,16,20H,2,11-15H2,1H3,(H,26,30)(H,27,28)
InChIKeySXHHSUMVHUJXCM-UHFFFAOYSA-N
MW422.50 g/mol
LogP3.94
Rot. Bonds7

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

2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide (PubChem CID 75528428) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
PubChem CID75528428
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC Name2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1
InChIInChI=1S/C24H27FN4O2/c1-2-31-21-9-3-17(4-10-21)15-24(30)26-20-11-13-29(14-12-20)23-16-22(27-28-23)18-5-7-19(25)8-6-18/h3-10,16,20H,2,11-15H2,1H3,(H,26,30)(H,27,28)
InChIKeySXHHSUMVHUJXCM-UHFFFAOYSA-N
XLogP3.94
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-diethoxyphenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741584
2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
CID 75528321
2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528472
4-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887879
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
2-(4-ethoxyphenyl)-1-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]ethanone
CID 75528117
2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741612
2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756596
2-(4-ethoxyphenyl)-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone
CID 75527263
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide
CID 91904760
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide (CID 75528428) is 2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide is CCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide?
The InChIKey is SXHHSUMVHUJXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-2-31-21-9-3-17(4-10-21)15-24(30)26-20-11-13-29(14-12-20)23-16-22(27-28-23)18-5-7-19(25)8-6-18/h3-10,16,20H,2,11-15H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide?
2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide has a molecular weight of 422.50 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 75528428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).