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

C22H24N2O3 — CID 7539994

IUPAC5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)Nc1ccccc1
InChIInChI=1S/C22H24N2O3/c1-15-20(22(26)23-16-8-4-2-5-9-16)21-17(14-24-12-6-3-7-13-24)18(25)10-11-19(21)27-15/h2,4-5,8-11,25H,3,6-7,12-14H2,1H3,(H,23,26)
InChIKeyGZCGJHBUFHVUIS-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.69
Rot. Bonds4

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

5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 7539994) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
PubChem CID7539994
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)Nc1ccccc1
InChIInChI=1S/C22H24N2O3/c1-15-20(22(26)23-16-8-4-2-5-9-16)21-17(14-24-12-6-3-7-13-24)18(25)10-11-19(21)27-15/h2,4-5,8-11,25H,3,6-7,12-14H2,1H3,(H,23,26)
InChIKeyGZCGJHBUFHVUIS-UHFFFAOYSA-N
XLogP4.69
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide (CID 7539994) is 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide is Cc1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is GZCGJHBUFHVUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-20(22(26)23-16-8-4-2-5-9-16)21-17(14-24-12-6-3-7-13-24)18(25)10-11-19(21)27-15/h2,4-5,8-11,25H,3,6-7,12-14H2,1H3,(H,23,26).
What are the key properties of 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide?
5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-N-phenyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 7539994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).