[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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Related Compounds

5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)benzofuran-3-carboxamide
CID 122644519
Phenicaberan
CID 40122
2-Benzyl-4-[(dimethylamino)methyl]-1-benzofuran-5-ol
CID 657581
Ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate
CID 2129850
(2,5-Dimethoxy-phenyl)-(4-dimethylaminomethyl-5-hydroxy-benzofuran-3-yl)-methanone
CID 23724433
3-Benzofurancarboxylic acid, 4-((dimethylamino)methyl)-5-hydroxy-2-phenyl-, ethyl ester, hydrochloride (1:1)
CID 10452131
5-ethoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 782051
Ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate
CID 1113703
Ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate
CID 2129848
5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide
CID 162624744
N-[2-[2-(3-hydroxyphenyl)-8,9-dihydro-7H-furo[3,2-f]chromen-1-yl]ethyl]acetamide
CID 76331947
5-methoxy-N,N-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 679872

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).