3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride

C16H23ClN2O3 — CID 119462036

IUPAC3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCNC2)oc2c1C(=O)CCC2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-10-14-12(19)5-2-6-13(14)21-15(10)16(20)18-9-11-4-3-7-17-8-11;/h11,17H,2-9H2,1H3,(H,18,20);1H
InChIKeyKERMJRQSXBVKFI-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.26
Rot. Bonds3

About 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride

3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119462036) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119462036
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCNC2)oc2c1C(=O)CCC2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-10-14-12(19)5-2-6-13(14)21-15(10)16(20)18-9-11-4-3-7-17-8-11;/h11,17H,2-9H2,1H3,(H,18,20);1H
InChIKeyKERMJRQSXBVKFI-UHFFFAOYSA-N
XLogP2.26
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(2-acetamidoethyl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 47232987
2-methyl-3-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 119237686
5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119461945
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
4-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230371
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride (CID 119462036) is 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NCC2CCCNC2)oc2c1C(=O)CCC2.Cl.
What is the InChIKey of 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is KERMJRQSXBVKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-10-14-12(19)5-2-6-13(14)21-15(10)16(20)18-9-11-4-3-7-17-8-11;/h11,17H,2-9H2,1H3,(H,18,20);1H.
What are the key properties of 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride?
3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119462036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).