2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide

C23H28FN3O3 — CID 9167060

IUPAC2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCc1cccc(CN2CCN(C(=O)CN(C)C(=O)COc3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H28FN3O3/c1-18-5-3-6-19(13-18)15-26-9-11-27(12-10-26)22(28)16-25(2)23(29)17-30-21-8-4-7-20(24)14-21/h3-8,13-14H,9-12,15-17H2,1-2H3
InChIKeyIJZZBGBMJFPCJE-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.32
Rot. Bonds7

About 2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide

2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 9167060) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID9167060
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCc1cccc(CN2CCN(C(=O)CN(C)C(=O)COc3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H28FN3O3/c1-18-5-3-6-19(13-18)15-26-9-11-27(12-10-26)22(28)16-25(2)23(29)17-30-21-8-4-7-20(24)14-21/h3-8,13-14H,9-12,15-17H2,1-2H3
InChIKeyIJZZBGBMJFPCJE-UHFFFAOYSA-N
XLogP2.32
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 9167071
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 704351
2-(4-chlorophenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17366047
N-benzyl-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755450
2-(3-fluorophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 113073970
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-cyanophenoxy)-N-methylacetamide
CID 9116115
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
2-(3-fluorophenoxy)-N-methyl-N-phenylacetamide
CID 78762284
2-(4-aminophenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119832324

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide (CID 9167060) is 2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide is Cc1cccc(CN2CCN(C(=O)CN(C)C(=O)COc3cccc(F)c3)CC2)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is IJZZBGBMJFPCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-18-5-3-6-19(13-18)15-26-9-11-27(12-10-26)22(28)16-25(2)23(29)17-30-21-8-4-7-20(24)14-21/h3-8,13-14H,9-12,15-17H2,1-2H3.
What are the key properties of 2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 413.49 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-methyl-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 9167060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).