2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide

C21H25FN3O2+ — CID 9223295

IUPAC2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24FN3O2/c1-23(15-17-6-5-9-19(22)14-17)20(26)16-24-10-12-25(13-11-24)21(27)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3/p+1
InChIKeyQZMIWFRAALYLMI-UHFFFAOYSA-O
MW370.45 g/mol
LogP0.82
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide

2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 9223295) has the molecular formula C21H25FN3O2+ and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID9223295
Molecular FormulaC21H25FN3O2+
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H24FN3O2/c1-23(15-17-6-5-9-19(22)14-17)20(26)16-24-10-12-25(13-11-24)21(27)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3/p+1
InChIKeyQZMIWFRAALYLMI-UHFFFAOYSA-O
XLogP0.82
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 8597079
2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8597039
N-benzyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylacetamide
CID 2471437
N-(2,6-dimethylphenyl)-2-[4-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435845
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 2112597
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 8721316
2-(4-benzoylpiperazin-1-ium-1-yl)-N-benzyl-N-[(1S)-1-cyclopropylethyl]acetamide
CID 8597088
2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9223114
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 8597202
N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide
CID 9021756
(4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride
CID 18530111

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 9223295) is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1cccc(F)c1)C(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is QZMIWFRAALYLMI-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24FN3O2/c1-23(15-17-6-5-9-19(22)14-17)20(26)16-24-10-12-25(13-11-24)21(27)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3/p+1.
What are the key properties of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 370.45 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 9223295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).