2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

C20H24FN3O — CID 2099416

IUPAC2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1F
InChIInChI=1S/C20H24FN3O/c1-16-7-8-18(13-19(16)21)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyZTHXAYWEKSSISY-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.89
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 2099416) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID2099416
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1F
InChIInChI=1S/C20H24FN3O/c1-16-7-8-18(13-19(16)21)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKeyZTHXAYWEKSSISY-UHFFFAOYSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9435782
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 16598193
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 8721137
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9262222
N-[2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 30863662
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9126806
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
2-(4-benzylpiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489195
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 16608497
methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742544

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide (CID 2099416) is 2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1F.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is ZTHXAYWEKSSISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-16-7-8-18(13-19(16)21)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide?
2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 341.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 2099416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).