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

C20H24FN4O2+ — CID 8704189

IUPACN-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN4O2/c1-15(26)22-17-4-6-18(7-5-17)23-20(27)14-24-10-12-25(13-11-24)19-8-2-16(21)3-9-19/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)/p+1
InChIKeyGJQLGZCZHBFDAL-UHFFFAOYSA-O
MW371.44 g/mol
LogP1.13
Rot. Bonds5

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

N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 8704189) has the molecular formula C20H24FN4O2+ and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID8704189
Molecular FormulaC20H24FN4O2+
Molecular Weight371.44 g/mol
Exact Mass371.19
IUPAC NameN-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H23FN4O2/c1-15(26)22-17-4-6-18(7-5-17)23-20(27)14-24-10-12-25(13-11-24)19-8-2-16(21)3-9-19/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)/p+1
InChIKeyGJQLGZCZHBFDAL-UHFFFAOYSA-O
XLogP1.13
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6978065
N-(4-bromo-3-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6979251
N-(3,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958471
propyl 4-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8703836
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
CID 2697479
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 7022975
N-(3-chloro-4-methoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 3703732
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 56762711
N-(4-bromophenyl)-2-[4-(4-ethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 3494423

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide (CID 8704189) is N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is GJQLGZCZHBFDAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23FN4O2/c1-15(26)22-17-4-6-18(7-5-17)23-20(27)14-24-10-12-25(13-11-24)19-8-2-16(21)3-9-19/h2-9H,10-14H2,1H3,(H,22,26)(H,23,27)/p+1.
What are the key properties of N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8704189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).