[5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone

C22H23NO4 — CID 1262888

IUPAC[5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3ccc(O)c(CN4CCCCC4)c23)cc1
InChIInChI=1S/C22H23NO4/c1-26-16-7-5-15(6-8-16)22(25)18-14-27-20-10-9-19(24)17(21(18)20)13-23-11-3-2-4-12-23/h5-10,14,24H,2-4,11-13H2,1H3
InChIKeyIIMARUZOQMCQCP-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.36
Rot. Bonds5

About [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone

[5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone (PubChem CID 1262888) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
PubChem CID1262888
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2coc3ccc(O)c(CN4CCCCC4)c23)cc1
InChIInChI=1S/C22H23NO4/c1-26-16-7-5-15(6-8-16)22(25)18-14-27-20-10-9-19(24)17(21(18)20)13-23-11-3-2-4-12-23/h5-10,14,24H,2-4,11-13H2,1H3
InChIKeyIIMARUZOQMCQCP-UHFFFAOYSA-N
XLogP4.36
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone (CID 1262888) is [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2coc3ccc(O)c(CN4CCCCC4)c23)cc1.
What is the InChIKey of [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
The InChIKey is IIMARUZOQMCQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-26-16-7-5-15(6-8-16)22(25)18-14-27-20-10-9-19(24)17(21(18)20)13-23-11-3-2-4-12-23/h5-10,14,24H,2-4,11-13H2,1H3.
What are the key properties of [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone?
[5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone has a molecular weight of 365.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 1262888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).