5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide

C23H26N2O3 — CID 7540100

IUPAC5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(O)c(CN3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccccc1
InChIInChI=1S/C23H26N2O3/c1-15-7-6-12-25(13-15)14-18-19(26)10-11-20-22(18)21(16(2)28-20)23(27)24-17-8-4-3-5-9-17/h3-5,8-11,15,26H,6-7,12-14H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyMBMRXFVFSYRHJW-OAHLLOKOSA-N
MW378.47 g/mol
LogP4.93
Rot. Bonds4

About 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide

5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide (PubChem CID 7540100) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide
PubChem CID7540100
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(O)c(CN3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccccc1
InChIInChI=1S/C23H26N2O3/c1-15-7-6-12-25(13-15)14-18-19(26)10-11-20-22(18)21(16(2)28-20)23(27)24-17-8-4-3-5-9-17/h3-5,8-11,15,26H,6-7,12-14H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyMBMRXFVFSYRHJW-OAHLLOKOSA-N
XLogP4.93
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.93
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-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide (CID 7540100) is 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(O)c(CN3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is MBMRXFVFSYRHJW-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-7-6-12-25(13-15)14-18-19(26)10-11-20-22(18)21(16(2)28-20)23(27)24-17-8-4-3-5-9-17/h3-5,8-11,15,26H,6-7,12-14H2,1-2H3,(H,24,27)/t15-/m1/s1.
What are the key properties of 5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide?
5-hydroxy-2-methyl-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.93, 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-4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 7540100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).