2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C23H28FN3O3 — CID 78896792

IUPAC2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28FN3O3/c1-16-12-17(2)23(18(3)13-16)25-21(28)14-26-8-10-27(11-9-26)22(29)15-30-20-6-4-19(24)5-7-20/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,25,28)
InChIKeyROOLXTGBRKTCEY-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 78896792) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID78896792
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C23H28FN3O3/c1-16-12-17(2)23(18(3)13-16)25-21(28)14-26-8-10-27(11-9-26)22(29)15-30-20-6-4-19(24)5-7-20/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,25,28)
InChIKeyROOLXTGBRKTCEY-UHFFFAOYSA-N
XLogP2.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 78896879
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
2-[4-[2-(4-acetylphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022019
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78897047
2-[4-[2-(3,4-dichlorophenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30749852
N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 55733574
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
2-[4-[2-(4-ethylphenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020191
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
2-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021527

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 78896792) is 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is ROOLXTGBRKTCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-16-12-17(2)23(18(3)13-16)25-21(28)14-26-8-10-27(11-9-26)22(29)15-30-20-6-4-19(24)5-7-20/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,25,28).
What are the key properties of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 413.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 78896792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).