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

C16H23ClN2O3 — CID 120577651

IUPAC3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCNC2C)oc2c1C(=O)CCC2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-9-14-12(19)6-3-7-13(14)21-15(9)16(20)18-11-5-4-8-17-10(11)2;/h10-11,17H,3-8H2,1-2H3,(H,18,20);1H
InChIKeyPVCZBGORHLKMRR-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.40
Rot. Bonds2

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

3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 120577651) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID120577651
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCNC2C)oc2c1C(=O)CCC2.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-9-14-12(19)6-3-7-13(14)21-15(9)16(20)18-11-5-4-8-17-10(11)2;/h10-11,17H,3-8H2,1-2H3,(H,18,20);1H
InChIKeyPVCZBGORHLKMRR-UHFFFAOYSA-N
XLogP2.40
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 120599872
3-methyl-4-oxo-N-(piperidin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
CID 119462036
4-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230371
3-methyl-N-(2-methylpiperidin-3-yl)furan-2-carboxamide;hydrochloride
CID 120577222
4-methyl-N-(2-methylpiperidin-3-yl)-1,2-oxazole-5-carboxamide
CID 114695110
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
CID 119573972
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
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
3-methyl-2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one;hydrochloride
CID 120997750
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
(2S)-4-methyl-2-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119360908

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride (CID 120577651) is 3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCCNC2C)oc2c1C(=O)CCC2.Cl.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is PVCZBGORHLKMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-9-14-12(19)6-3-7-13(14)21-15(9)16(20)18-11-5-4-8-17-10(11)2;/h10-11,17H,3-8H2,1-2H3,(H,18,20);1H.
What are the key properties of 3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride?
3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120577651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).