5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

C26H26N2O5 — CID 26350873

IUPAC5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2cc(C3(O)CCN(Cc4ccoc4)CC3)ccc2o1
InChIInChI=1S/C26H26N2O5/c1-31-23-5-3-2-4-21(23)27-25(29)24-15-19-14-20(6-7-22(19)33-24)26(30)9-11-28(12-10-26)16-18-8-13-32-17-18/h2-8,13-15,17,30H,9-12,16H2,1H3,(H,27,29)
InChIKeyFDMJAIPSKZYMRS-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.77
Rot. Bonds6

About 5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide

5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 26350873) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID26350873
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2cc(C3(O)CCN(Cc4ccoc4)CC3)ccc2o1
InChIInChI=1S/C26H26N2O5/c1-31-23-5-3-2-4-21(23)27-25(29)24-15-19-14-20(6-7-22(19)33-24)26(30)9-11-28(12-10-26)16-18-8-13-32-17-18/h2-8,13-15,17,30H,9-12,16H2,1H3,(H,27,29)
InChIKeyFDMJAIPSKZYMRS-UHFFFAOYSA-N
XLogP4.77
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 26340936
5-[1-[(2,6-difluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 26341603
N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 30956846
3,4-dihydro-1H-isoquinolin-2-yl-[5-[4-hydroxy-1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-yl]methanone
CID 42542289
5-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 26352465
N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(2-methylphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 26334405
[5-[1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-hydroxypiperidin-4-yl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 26349534
N-(1,3-benzodioxol-5-yl)-5-[1-[(2-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-benzofuran-2-carboxamide
CID 42439073
N-[2-(2-fluorophenyl)ethyl]-5-[1-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-benzofuran-2-carboxamide
CID 42318748
[5-[4-hydroxy-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 26398787
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
5-[1-(2-ethylbutyl)-4-hydroxypiperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 26339834

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide (CID 26350873) is 5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccccc1NC(=O)c1cc2cc(C3(O)CCN(Cc4ccoc4)CC3)ccc2o1.
What is the InChIKey of 5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is FDMJAIPSKZYMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-31-23-5-3-2-4-21(23)27-25(29)24-15-19-14-20(6-7-22(19)33-24)26(30)9-11-28(12-10-26)16-18-8-13-32-17-18/h2-8,13-15,17,30H,9-12,16H2,1H3,(H,27,29).
What are the key properties of 5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide?
5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26350873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).