N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide

C17H20N2O3 — CID 49016386

IUPACN-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cc3cccc(C)c3o2)CC1
InChIInChI=1S/C17H20N2O3/c1-11-4-3-5-13-10-15(22-16(11)13)17(21)18-14-6-8-19(9-7-14)12(2)20/h3-5,10,14H,6-9H2,1-2H3,(H,18,21)
InChIKeyTZBJQOSMLCLFNH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.48
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide

N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide (PubChem CID 49016386) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide
PubChem CID49016386
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cc3cccc(C)c3o2)CC1
InChIInChI=1S/C17H20N2O3/c1-11-4-3-5-13-10-15(22-16(11)13)17(21)18-14-6-8-19(9-7-14)12(2)20/h3-5,10,14H,6-9H2,1-2H3,(H,18,21)
InChIKeyTZBJQOSMLCLFNH-UHFFFAOYSA-N
XLogP2.48
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(7-chloro-1-benzofuran-2-carbonyl)amino]pyrrolidine-1-carboxylate
CID 71858940
ethyl 4-(1-benzofuran-2-carbonylamino)piperidine-1-carboxylate
CID 31843225
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
[3-(methylamino)piperidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119492910
7-bromo-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
CID 48980635
N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 55688262
N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
CID 47114518
7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 78867681
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
3,4-dihydro-1H-isoquinolin-2-yl-(7-methyl-1-benzofuran-2-yl)methanone
CID 49014027
7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 136666518

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide (CID 49016386) is N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide is CC(=O)N1CCC(NC(=O)c2cc3cccc(C)c3o2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide?
The InChIKey is TZBJQOSMLCLFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-4-3-5-13-10-15(22-16(11)13)17(21)18-14-6-8-19(9-7-14)12(2)20/h3-5,10,14H,6-9H2,1-2H3,(H,18,21).
What are the key properties of N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide?
N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-7-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 49016386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).