(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H23N3O3 — CID 18104764

IUPAC(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc2oc(C(=O)N3CCN(c4ccccn4)CC3)c(C)c2c1
InChIInChI=1S/C21H23N3O3/c1-3-26-16-7-8-18-17(14-16)15(2)20(27-18)21(25)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-9,14H,3,10-13H2,1-2H3
InChIKeyGABTUZUHHRWWGA-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.50
Rot. Bonds4

About (5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 18104764) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID18104764
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc2oc(C(=O)N3CCN(c4ccccn4)CC3)c(C)c2c1
InChIInChI=1S/C21H23N3O3/c1-3-26-16-7-8-18-17(14-16)15(2)20(27-18)21(25)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-9,14H,3,10-13H2,1-2H3
InChIKeyGABTUZUHHRWWGA-UHFFFAOYSA-N
XLogP3.50
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 8968412
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 2425877
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 71904304
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143726
2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511005
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 2664104
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 16550716
2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925870
[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-(5-ethoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 8530102
[1-(6-ethoxy-4-methylquinazolin-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 26358210

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 18104764) is (5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCOc1ccc2oc(C(=O)N3CCN(c4ccccn4)CC3)c(C)c2c1.
What is the InChIKey of (5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GABTUZUHHRWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-26-16-7-8-18-17(14-16)15(2)20(27-18)21(25)24-12-10-23(11-13-24)19-6-4-5-9-22-19/h4-9,14H,3,10-13H2,1-2H3.
What are the key properties of (5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 365.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 18104764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).