(7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

C21H19F3N2O4 — CID 71798699

IUPAC(7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)oc12
InChIInChI=1S/C21H19F3N2O4/c1-28-16-4-2-3-13-11-17(30-19(13)16)20(27)26-9-7-15(8-10-26)29-18-6-5-14(12-25-18)21(22,23)24/h2-6,11-12,15H,7-10H2,1H3
InChIKeyOPVJJBQXOJUHQF-UHFFFAOYSA-N
MW420.39 g/mol
LogP4.54
Rot. Bonds4

About (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone

(7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (PubChem CID 71798699) has the molecular formula C21H19F3N2O4 and a molecular weight of 420.39 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
PubChem CID71798699
Molecular FormulaC21H19F3N2O4
Molecular Weight420.39 g/mol
Exact Mass420.13
IUPAC Name(7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
SMILESCOc1cccc2cc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)oc12
InChIInChI=1S/C21H19F3N2O4/c1-28-16-4-2-3-13-11-17(30-19(13)16)20(27)26-9-7-15(8-10-26)29-18-6-5-14(12-25-18)21(22,23)24/h2-6,11-12,15H,7-10H2,1H3
InChIKeyOPVJJBQXOJUHQF-UHFFFAOYSA-N
XLogP4.54
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

{5-[(2-methoxy-4-propylphenoxy)methyl](2-furyl)}-N-(3-pyridylmethyl)carboxamid e
CID 1091781
5-[(naphthalen-1-yloxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166258
1-{5-[(2-Methoxy-4-propylphenoxy)methyl]-2-furoyl}-4-(2-pyridinyl)piperazine
CID 2941270
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572
6,7-Dimethoxy-2-((7-methoxy-2-(pyridin-2-yl)benzofuran-4-yl)methyl)-1,2,3,4-tetrahydroisoquinoline
CID 44438148
1-[(2-Fluoro-4-pyridin-3-ylphenyl)methyl]-4-(4-methoxydibenzofuran-1-yl)pyrrolidin-2-one
CID 54576449
1-(furan-2-ylmethyl)-3-hydroxy-4-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-(pyridin-3-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 2951279
1-[(3,5-Dimethyl-1-benzofuran-2-yl)carbonyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 24790220
7-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(1E,2S)-4-phenyl-1-[(2-pyridin-3-ylacetyl)hydrazinylidene]butan-2-yl]amino]pentan-2-yl]-1-benzofuran-2-carboxamide
CID 44529066
5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide
CID 46883884
N-ethyl-5-methoxy-N-(6-methoxy-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 46883885
(7-ethoxybenzofuran-2-yl)(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 54585958

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone (CID 71798699) is (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The canonical SMILES for (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is COc1cccc2cc(C(=O)N3CCC(Oc4ccc(C(F)(F)F)cn4)CC3)oc12.
What is the InChIKey of (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
The InChIKey is OPVJJBQXOJUHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O4/c1-28-16-4-2-3-13-11-17(30-19(13)16)20(27)26-9-7-15(8-10-26)29-18-6-5-14(12-25-18)21(22,23)24/h2-6,11-12,15H,7-10H2,1H3.
What are the key properties of (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone?
(7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone has a molecular weight of 420.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-benzofuran-2-yl)-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 71798699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).