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

C16H22N2O3 — CID 120599872

IUPAC3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCNC(C)C2)oc2c1C(=O)CCC2
InChIInChI=1S/C16H22N2O3/c1-9-8-11(6-7-17-9)18-16(20)15-10(2)14-12(19)4-3-5-13(14)21-15/h9,11,17H,3-8H2,1-2H3,(H,18,20)
InChIKeyZZZXQOVBHYMROU-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.98
Rot. Bonds2

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

3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 120599872) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID120599872
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCNC(C)C2)oc2c1C(=O)CCC2
InChIInChI=1S/C16H22N2O3/c1-9-8-11(6-7-17-9)18-16(20)15-10(2)14-12(19)4-3-5-13(14)21-15/h9,11,17H,3-8H2,1-2H3,(H,18,20)
InChIKeyZZZXQOVBHYMROU-UHFFFAOYSA-N
XLogP1.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-methyl-N-(2-methylpiperidin-3-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
CID 120577651
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
5-bromo-3-methyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120602547
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide;hydrochloride
CID 119573972
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
(2S)-4-methyl-2-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119360908
2-[2-(1-aminoethyl)piperidine-1-carbonyl]-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 119435995
5,6-dimethyl-N-(2-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 120601646
3-methyl-2-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one;hydrochloride
CID 120997750
5-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 167942849
N-(2-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 120600756

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 120599872) is 3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCNC(C)C2)oc2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is ZZZXQOVBHYMROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9-8-11(6-7-17-9)18-16(20)15-10(2)14-12(19)4-3-5-13(14)21-15/h9,11,17H,3-8H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
3-methyl-N-(2-methylpiperidin-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.98, 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-4-yl)-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 120599872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).