N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide

C23H28FN3O2 — CID 113162197

IUPACN-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)Cc1ccccc1F
InChIInChI=1S/C23H28FN3O2/c1-17-7-6-10-22(18(17)2)25-11-13-26(14-12-25)23(29)16-27(19(3)28)15-20-8-4-5-9-21(20)24/h4-10H,11-16H2,1-3H3
InChIKeyRYJGVAWILPFMLA-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.14
Rot. Bonds5

About N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide

N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113162197) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113162197
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)Cc1ccccc1F
InChIInChI=1S/C23H28FN3O2/c1-17-7-6-10-22(18(17)2)25-11-13-26(14-12-25)23(29)16-27(19(3)28)15-20-8-4-5-9-21(20)24/h4-10H,11-16H2,1-3H3
InChIKeyRYJGVAWILPFMLA-UHFFFAOYSA-N
XLogP3.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113162185
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene
CID 144750411
N-(2,3-dimethylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113168884
N-[(2-methylphenyl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113161360
N-[(2-methylphenyl)methyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161416
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113163416
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[(2-methylphenyl)methyl]acetamide
CID 113161375
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
CID 113114978
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159665

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide (CID 113162197) is N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide is CC(=O)N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)Cc1ccccc1F.
What is the InChIKey of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is RYJGVAWILPFMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-17-7-6-10-22(18(17)2)25-11-13-26(14-12-25)23(29)16-27(19(3)28)15-20-8-4-5-9-21(20)24/h4-10H,11-16H2,1-3H3.
What are the key properties of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide?
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 397.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113162197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).