2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide

C14H19FN3O2+ — CID 8904357

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C14H18FN3O2/c1-11(19)18-8-6-17(7-9-18)10-14(20)16-13-5-3-2-4-12(13)15/h2-5H,6-10H2,1H3,(H,16,20)/p+1
InChIKeySQJDCWZNVHVLNQ-UHFFFAOYSA-O
MW280.32 g/mol
LogP-0.49
Rot. Bonds3

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 8904357) has the molecular formula C14H19FN3O2+ and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID8904357
Molecular FormulaC14H19FN3O2+
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C14H18FN3O2/c1-11(19)18-8-6-17(7-9-18)10-14(20)16-13-5-3-2-4-12(13)15/h2-5H,6-10H2,1H3,(H,16,20)/p+1
InChIKeySQJDCWZNVHVLNQ-UHFFFAOYSA-O
XLogP-0.49
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,6-difluorobenzoyl)piperazin-1-ium-1-yl]-N-(2-fluorophenyl)acetamide
CID 5072019
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 8904341
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
CID 7833202
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 9223401
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide
CID 9033852
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-fluorophenyl)acetamide
CID 9435761
2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8679883
2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429578
N-(2-fluorophenyl)-2-[4-(4-propylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 9393672
N-(2-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2064231
ethyl 4-[2-(2-acetylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932316

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide (CID 8904357) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide is CC(=O)N1CC[NH+](CC(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is SQJDCWZNVHVLNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18FN3O2/c1-11(19)18-8-6-17(7-9-18)10-14(20)16-13-5-3-2-4-12(13)15/h2-5H,6-10H2,1H3,(H,16,20)/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 280.32 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 8904357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).