2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide

C20H24FN3O3S — CID 78897047

IUPAC2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O3S/c1-15-6-11-28-18(15)12-22-19(25)13-23-7-9-24(10-8-23)20(26)14-27-17-4-2-16(21)3-5-17/h2-6,11H,7-10,12-14H2,1H3,(H,22,25)
InChIKeyYTEILHAJWHZIAZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.04
Rot. Bonds7

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

2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 78897047) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID78897047
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O3S/c1-15-6-11-28-18(15)12-22-19(25)13-23-7-9-24(10-8-23)20(26)14-27-17-4-2-16(21)3-5-17/h2-6,11H,7-10,12-14H2,1H3,(H,22,25)
InChIKeyYTEILHAJWHZIAZ-UHFFFAOYSA-N
XLogP2.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 78896792
1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110898342
N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 52574907
2-[4-[2-(4-acetylphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022019
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
N-(3-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020277
2-(4-aminophenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78985015
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
2-(4-ethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959130
N-(4-fluorophenyl)-2-[4-[2-[4-(3-oxobutyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 55733574

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 78897047) is 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is YTEILHAJWHZIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-15-6-11-28-18(15)12-22-19(25)13-23-7-9-24(10-8-23)20(26)14-27-17-4-2-16(21)3-5-17/h2-6,11H,7-10,12-14H2,1H3,(H,22,25).
What are the key properties of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 78897047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).