N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C20H22FN3O2 — CID 1142120

IUPACN-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O2/c1-15(25)16-2-6-18(7-3-16)22-20(26)14-23-10-12-24(13-11-23)19-8-4-17(21)5-9-19/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyXVOFYYXJDUXLFP-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.79
Rot. Bonds5

About N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 1142120) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID1142120
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O2/c1-15(25)16-2-6-18(7-3-16)22-20(26)14-23-10-12-24(13-11-23)19-8-4-17(21)5-9-19/h2-9H,10-14H2,1H3,(H,22,26)
InChIKeyXVOFYYXJDUXLFP-UHFFFAOYSA-N
XLogP2.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
CID 2082981
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
N-(4-ethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988165
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 8591691
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
N-(4-butan-2-ylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 3545581
N-[4-(cyanomethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988170
N-(4-acetylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668840
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 1443738
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 1142120) is N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is CC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is XVOFYYXJDUXLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-15(25)16-2-6-18(7-3-16)22-20(26)14-23-10-12-24(13-11-23)19-8-4-17(21)5-9-19/h2-9H,10-14H2,1H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 355.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1142120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).