2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride

C15H21ClFN3O2 — CID 24761096

IUPAC2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-11-3-4-13(9-14(11)16)17-15(21)10-18-5-7-19(8-6-18)12(2)20;/h3-4,9H,5-8,10H2,1-2H3,(H,17,21);1H
InChIKeyXFZSGSRDCZHTJS-UHFFFAOYSA-N
MW329.80 g/mol
LogP1.66
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride

2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride (PubChem CID 24761096) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
PubChem CID24761096
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-11-3-4-13(9-14(11)16)17-15(21)10-18-5-7-19(8-6-18)12(2)20;/h3-4,9H,5-8,10H2,1-2H3,(H,17,21);1H
InChIKeyXFZSGSRDCZHTJS-UHFFFAOYSA-N
XLogP1.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride (CID 24761096) is 2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride is CC(=O)N1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1.Cl.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride?
The InChIKey is XFZSGSRDCZHTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2.ClH/c1-11-3-4-13(9-14(11)16)17-15(21)10-18-5-7-19(8-6-18)12(2)20;/h3-4,9H,5-8,10H2,1-2H3,(H,17,21);1H.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride?
2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride has a molecular weight of 329.80 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 24761096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).