2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide

C20H20F3N3O3 — CID 108501448

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H20F3N3O3/c1-29-17-8-3-2-7-16(17)25-9-11-26(12-10-25)19(28)18(27)24-15-6-4-5-14(13-15)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,27)
InChIKeyHOHXYBBYJVXEGT-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.00
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 108501448) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID108501448
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H20F3N3O3/c1-29-17-8-3-2-7-16(17)25-9-11-26(12-10-25)19(28)18(27)24-15-6-4-5-14(13-15)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,27)
InChIKeyHOHXYBBYJVXEGT-UHFFFAOYSA-N
XLogP3.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108530744
(Z)-2-cyano-3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826365
N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108525435
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 2597909
2-(4-methylpiperidin-1-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501324
N-[4-(diethylamino)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530576
N-(3H-benzimidazol-5-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108529250
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 108530730
N'-[N'-(1-ethoxyethyl)-N-[3-(trifluoromethyl)phenyl]carbamimidoyl]-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 162601101
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide (CID 108501448) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HOHXYBBYJVXEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-29-17-8-3-2-7-16(17)25-9-11-26(12-10-25)19(28)18(27)24-15-6-4-5-14(13-15)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,27).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 407.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 108501448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).