2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide

C21H26FN3O3 — CID 33070046

IUPAC2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1F
InChIInChI=1S/C21H26FN3O3/c1-27-19-8-7-16(13-17(19)22)14-24-9-11-25(12-10-24)15-21(26)23-18-5-3-4-6-20(18)28-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyZFLHXHJPJUXJJU-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.60
Rot. Bonds7

About 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 33070046) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID33070046
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1F
InChIInChI=1S/C21H26FN3O3/c1-27-19-8-7-16(13-17(19)22)14-24-9-11-25(12-10-24)15-21(26)23-18-5-3-4-6-20(18)28-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)
InChIKeyZFLHXHJPJUXJJU-UHFFFAOYSA-N
XLogP2.60
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 17426240
N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069859
N-(2-bromo-4-nitrophenyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069844
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33071348
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 22194502
N-(2-methoxyphenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773711
N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6469646
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 46690058
2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 171702460
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 33070046) is 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccc(CN2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1F.
What is the InChIKey of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is ZFLHXHJPJUXJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-27-19-8-7-16(13-17(19)22)14-24-9-11-25(12-10-24)15-21(26)23-18-5-3-4-6-20(18)28-2/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 33070046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).