2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C20H17F3N4O4 — CID 58350750

IUPAC2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESO=C1Cc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2O1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)13-2-4-16(24-11-13)26-5-7-27(8-6-26)19(30)18(29)25-14-3-1-12-9-17(28)31-15(12)10-14/h1-4,10-11H,5-9H2,(H,25,29)
InChIKeyODRATZISEUFCDB-UHFFFAOYSA-N
MW434.37 g/mol
LogP1.85
Rot. Bonds2

About 2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 58350750) has the molecular formula C20H17F3N4O4 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID58350750
Molecular FormulaC20H17F3N4O4
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC Name2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESO=C1Cc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2O1
InChIInChI=1S/C20H17F3N4O4/c21-20(22,23)13-2-4-16(24-11-13)26-5-7-27(8-6-26)19(30)18(29)25-14-3-1-12-9-17(28)31-15(12)10-14/h1-4,10-11H,5-9H2,(H,25,29)
InChIKeyODRATZISEUFCDB-UHFFFAOYSA-N
XLogP1.85
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 58467625
2-oxo-N-(6-oxo-5H-naphthalen-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 58467787
2-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350655
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 25258957
2-[(2R)-4-(5-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350736
2-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]-2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58350844
N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide
CID 58350640
N-(3H-indol-6-yl)-2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 58350682
2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108531694
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 55695316
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 155632607

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 58350750) is 2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is O=C1Cc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)cc2O1.
What is the InChIKey of 2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is ODRATZISEUFCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O4/c21-20(22,23)13-2-4-16(24-11-13)26-5-7-27(8-6-26)19(30)18(29)25-14-3-1-12-9-17(28)31-15(12)10-14/h1-4,10-11H,5-9H2,(H,25,29).
What are the key properties of 2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 434.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-oxo-3H-1-benzofuran-6-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 58350750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).