(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone

C21H22N2O4 — CID 70738903

IUPAC(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCC(Oc4ccncc4)CC3)oc2c1
InChIInChI=1S/C21H22N2O4/c1-14-18-4-3-17(25-2)13-19(18)27-20(14)21(24)23-11-7-16(8-12-23)26-15-5-9-22-10-6-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3
InChIKeyJJNKOOJXFQBIJH-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.83
Rot. Bonds4

About (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone

(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 70738903) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID70738903
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCC(Oc4ccncc4)CC3)oc2c1
InChIInChI=1S/C21H22N2O4/c1-14-18-4-3-17(25-2)13-19(18)27-20(14)21(24)23-11-7-16(8-12-23)26-15-5-9-22-10-6-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3
InChIKeyJJNKOOJXFQBIJH-UHFFFAOYSA-N
XLogP3.83
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone with MolForge

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Related Compounds

[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 97142415
[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 70754964
(3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 16676076
(6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 171781643
(3,4-dichlorophenyl)-[1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]methanone
CID 55956890
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35181036
(4-aminopiperidin-1-yl)-(6-methoxy-3-phenyl-1-benzofuran-2-yl)methanone
CID 119374183
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617259
(6-methoxy-3-methyl-1-benzofuran-2-yl)-[(2R)-2-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 97132095
(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 70724076

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone (CID 70738903) is (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone is COc1ccc2c(C)c(C(=O)N3CCC(Oc4ccncc4)CC3)oc2c1.
What is the InChIKey of (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is JJNKOOJXFQBIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-18-4-3-17(25-2)13-19(18)27-20(14)21(24)23-11-7-16(8-12-23)26-15-5-9-22-10-6-15/h3-6,9-10,13,16H,7-8,11-12H2,1-2H3.
What are the key properties of (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone?
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 366.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 70738903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).