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

C22H27FN3O2+ — CID 7830382

IUPAC2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)c1ccc(N2CC[NH+](CC(=O)NCCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-17(27)19-4-8-21(9-5-19)26-14-12-25(13-15-26)16-22(28)24-11-10-18-2-6-20(23)7-3-18/h2-9H,10-16H2,1H3,(H,24,28)/p+1
InChIKeyMCQIWKIPRSLASG-UHFFFAOYSA-O
MW384.48 g/mol
LogP1.09
Rot. Bonds7

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

2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 7830382) has the molecular formula C22H27FN3O2+ and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID7830382
Molecular FormulaC22H27FN3O2+
Molecular Weight384.48 g/mol
Exact Mass384.21
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(=O)c1ccc(N2CC[NH+](CC(=O)NCCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-17(27)19-4-8-21(9-5-19)26-14-12-25(13-15-26)16-22(28)24-11-10-18-2-6-20(23)7-3-18/h2-9H,10-16H2,1H3,(H,24,28)/p+1
InChIKeyMCQIWKIPRSLASG-UHFFFAOYSA-O
XLogP1.09
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CID 8591746
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 2656227
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 2107329
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 8591784
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8591644
N-[2-(4-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8530398
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 2656205
N-[2-(4-fluorophenyl)ethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109024942
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8904385
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8704079

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 7830382) is 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(=O)c1ccc(N2CC[NH+](CC(=O)NCCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is MCQIWKIPRSLASG-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26FN3O2/c1-17(27)19-4-8-21(9-5-19)26-14-12-25(13-15-26)16-22(28)24-11-10-18-2-6-20(23)7-3-18/h2-9H,10-16H2,1H3,(H,24,28)/p+1.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 7830382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).