6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide

C20H22N2O3 — CID 172553823

IUPAC6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3ccc(-c4ccoc4)cc3o2)CC1
InChIInChI=1S/C20H22N2O3/c1-22-7-4-14(5-8-22)12-21-20(23)19-11-16-3-2-15(10-18(16)25-19)17-6-9-24-13-17/h2-3,6,9-11,13-14H,4-5,7-8,12H2,1H3,(H,21,23)
InChIKeyMUHQBSVENLQOSW-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.76
Rot. Bonds4

About 6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide

6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 172553823) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID172553823
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCN1CCC(CNC(=O)c2cc3ccc(-c4ccoc4)cc3o2)CC1
InChIInChI=1S/C20H22N2O3/c1-22-7-4-14(5-8-22)12-21-20(23)19-11-16-3-2-15(10-18(16)25-19)17-6-9-24-13-17/h2-3,6,9-11,13-14H,4-5,7-8,12H2,1H3,(H,21,23)
InChIKeyMUHQBSVENLQOSW-UHFFFAOYSA-N
XLogP3.76
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide
CID 172553836
6-(5-methylfuran-2-yl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 172553851
6-(4-cyanophenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 164889337
6-(4-cyclohexylphenyl)-N-(piperidin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 164889369
5-(1-aminoisoquinolin-7-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 171446161
5-[4-(furan-3-yl)phenyl]-N-(piperidin-4-ylmethyl)-1H-indole-2-carboxamide
CID 164625682
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
CID 70845924
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
N-(cyclopropylmethyl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 42692938
4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
5-bromo-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 47080623

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide (CID 172553823) is 6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide is CN1CCC(CNC(=O)c2cc3ccc(-c4ccoc4)cc3o2)CC1.
What is the InChIKey of 6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is MUHQBSVENLQOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22-7-4-14(5-8-22)12-21-20(23)19-11-16-3-2-15(10-18(16)25-19)17-6-9-24-13-17/h2-3,6,9-11,13-14H,4-5,7-8,12H2,1H3,(H,21,23).
What are the key properties of 6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide?
6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 172553823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).