5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide

C25H28N2O4 — CID 19451165

IUPAC5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)o2)cc1
InChIInChI=1S/C25H28N2O4/c1-29-21-9-11-22(12-10-21)30-18-23-13-14-24(31-23)25(28)26-20-7-5-19(6-8-20)17-27-15-3-2-4-16-27/h5-14H,2-4,15-18H2,1H3,(H,26,28)
InChIKeyYGBIAXQBATUNCV-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.11
Rot. Bonds8

About 5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide

5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide (PubChem CID 19451165) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
PubChem CID19451165
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
SMILESCOc1ccc(OCc2ccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)o2)cc1
InChIInChI=1S/C25H28N2O4/c1-29-21-9-11-22(12-10-21)30-18-23-13-14-24(31-23)25(28)26-20-7-5-19(6-8-20)17-27-15-3-2-4-16-27/h5-14H,2-4,15-18H2,1H3,(H,26,28)
InChIKeyYGBIAXQBATUNCV-UHFFFAOYSA-N
XLogP5.11
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
5-[(4-methoxyphenoxy)methyl]-N-[3-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 19451164
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 19456697
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78888813
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19451127
5-[(4-chlorophenoxy)methyl]-N-(4-iodophenyl)furan-2-carboxamide
CID 126206502
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19340567
5-[(4-methylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 7454734

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide (CID 19451165) is 5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide is COc1ccc(OCc2ccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)o2)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is YGBIAXQBATUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-29-21-9-11-22(12-10-21)30-18-23-13-14-24(31-23)25(28)26-20-7-5-19(6-8-20)17-27-15-3-2-4-16-27/h5-14H,2-4,15-18H2,1H3,(H,26,28).
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide?
5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 19451165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).