7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

C22H24N2O3 — CID 78867827

IUPAC7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(CN4CCCCC4)c3)oc12
InChIInChI=1S/C22H24N2O3/c1-26-19-10-6-8-17-14-20(27-21(17)19)22(25)23-18-9-5-7-16(13-18)15-24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,23,25)
InChIKeyHFJLIQCFYYGLGJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.68
Rot. Bonds5

About 7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 78867827) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID78867827
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(CN4CCCCC4)c3)oc12
InChIInChI=1S/C22H24N2O3/c1-26-19-10-6-8-17-14-20(27-21(17)19)22(25)23-18-9-5-7-16(13-18)15-24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,23,25)
InChIKeyHFJLIQCFYYGLGJ-UHFFFAOYSA-N
XLogP4.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900619
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
N-[3-(4-benzylpiperazin-1-yl)propyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78866653
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78900189
2-(2-methoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131930532
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722834
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-[3-[methyl(methylsulfonyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 28590113
2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131909771
3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842437
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 121031173

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide (CID 78867827) is 7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(CN4CCCCC4)c3)oc12.
What is the InChIKey of 7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is HFJLIQCFYYGLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-26-19-10-6-8-17-14-20(27-21(17)19)22(25)23-18-9-5-7-16(13-18)15-24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,23,25).
What are the key properties of 7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78867827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).