N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide

C28H27ClN2O4 — CID 30956846

IUPACN-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc(CN2CCC(O)(c3ccc4oc(C(=O)Nc5ccc(Cl)cc5)cc4c3)CC2)c1
InChIInChI=1S/C28H27ClN2O4/c1-34-24-4-2-3-19(15-24)18-31-13-11-28(33,12-14-31)21-5-10-25-20(16-21)17-26(35-25)27(32)30-23-8-6-22(29)7-9-23/h2-10,15-17,33H,11-14,18H2,1H3,(H,30,32)
InChIKeyBIKASPLXOQBZJO-UHFFFAOYSA-N
MW490.99 g/mol
LogP5.83
Rot. Bonds6

About N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide

N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide (PubChem CID 30956846) has the molecular formula C28H27ClN2O4 and a molecular weight of 490.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
PubChem CID30956846
Molecular FormulaC28H27ClN2O4
Molecular Weight490.99 g/mol
Exact Mass490.17
IUPAC NameN-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc(CN2CCC(O)(c3ccc4oc(C(=O)Nc5ccc(Cl)cc5)cc4c3)CC2)c1
InChIInChI=1S/C28H27ClN2O4/c1-34-24-4-2-3-19(15-24)18-31-13-11-28(33,12-14-31)21-5-10-25-20(16-21)17-26(35-25)27(32)30-23-8-6-22(29)7-9-23/h2-10,15-17,33H,11-14,18H2,1H3,(H,30,32)
InChIKeyBIKASPLXOQBZJO-UHFFFAOYSA-N
XLogP5.83
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.99
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol
CID 66764282
5-[1-[(2,6-difluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 26341603
5-[1-(furan-3-ylmethyl)-4-hydroxypiperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 26350873
N-(4-chlorophenyl)-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195037
5-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]-N-(2-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 26340936
N-(1,3-benzodioxol-5-yl)-5-[1-[(2-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-benzofuran-2-carboxamide
CID 42439073
N-(1,3-benzodioxol-5-yl)-5-[4-hydroxy-1-[(2-methylphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 26334405
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
N-(4-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxamide
CID 78843309
5-[1-[(4-ethylphenyl)methyl]-4-hydroxypiperidin-4-yl]-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 26352465
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide
CID 58930472

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide (CID 30956846) is N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide is COc1cccc(CN2CCC(O)(c3ccc4oc(C(=O)Nc5ccc(Cl)cc5)cc4c3)CC2)c1.
What is the InChIKey of N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
The InChIKey is BIKASPLXOQBZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O4/c1-34-24-4-2-3-19(15-24)18-31-13-11-28(33,12-14-31)21-5-10-25-20(16-21)17-26(35-25)27(32)30-23-8-6-22(29)7-9-23/h2-10,15-17,33H,11-14,18H2,1H3,(H,30,32).
What are the key properties of N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide?
N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide has a molecular weight of 490.99 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[4-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 30956846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).