5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide

C23H26N2O4 — CID 122644518

IUPAC5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(O)c(CN3CCCCC3)c12
InChIInChI=1S/C23H26N2O4/c1-24-23(27)21-20-17(14-25-12-4-3-5-13-25)18(26)10-11-19(20)29-22(21)15-6-8-16(28-2)9-7-15/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,27)
InChIKeyBBLVUDOQOVPECS-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.16
Rot. Bonds5

About 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide

5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 122644518) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
PubChem CID122644518
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(O)c(CN3CCCCC3)c12
InChIInChI=1S/C23H26N2O4/c1-24-23(27)21-20-17(14-25-12-4-3-5-13-25)18(26)10-11-19(20)29-22(21)15-6-8-16(28-2)9-7-15/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,27)
InChIKeyBBLVUDOQOVPECS-UHFFFAOYSA-N
XLogP4.16
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-5-hydroxy-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 122644531
2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 122644522
5-hydroxy-2-(4-methoxyphenyl)-N-methyl-1-phenyl-4-(piperidin-1-ylmethyl)indole-3-carboxamide
CID 164520764
5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-benzofuran-3-carboxamide
CID 166636157
5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(1-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)-1-benzofuran-3-carboxamide
CID 166633905
5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(1-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide
CID 166626484
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-5-hydroxy-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate
CID 122644523
4-(azepan-1-ylmethyl)-N-cyclohexyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
CID 7540289
5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
CID 7539994
7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
CID 6052176
ethyl 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-4-(piperidin-1-ylmethyl)indole-3-carboxylate
CID 7327705
2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
CID 10316448

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide (CID 122644518) is 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(O)c(CN3CCCCC3)c12.
What is the InChIKey of 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is BBLVUDOQOVPECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-24-23(27)21-20-17(14-25-12-4-3-5-13-25)18(26)10-11-19(20)29-22(21)15-6-8-16(28-2)9-7-15/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,27).
What are the key properties of 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-methoxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 122644518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).