3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride

C17H23ClN2O2 — CID 120556358

IUPAC3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCNCC2C)oc2c(C)cccc12.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-10-5-4-6-13-12(3)16(21-15(10)13)17(20)19-14-7-8-18-9-11(14)2;/h4-6,11,14,18H,7-9H2,1-3H3,(H,19,20);1H
InChIKeyUIIFPDUQARQJMW-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.20
Rot. Bonds2

About 3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride

3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 120556358) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID120556358
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCNCC2C)oc2c(C)cccc12.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-10-5-4-6-13-12(3)16(21-15(10)13)17(20)19-14-7-8-18-9-11(14)2;/h4-6,11,14,18H,7-9H2,1-3H3,(H,19,20);1H
InChIKeyUIIFPDUQARQJMW-UHFFFAOYSA-N
XLogP3.20
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119538086
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
2-methyl-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120556204
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
2-methyl-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide
CID 120556205
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557704
N-(3-methylpiperidin-4-yl)-5-methylsulfanylfuran-2-carboxamide
CID 120557562
7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide
CID 104927239

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of 3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride (CID 120556358) is 3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for 3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCNCC2C)oc2c(C)cccc12.Cl.
What is the InChIKey of 3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is UIIFPDUQARQJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-10-5-4-6-13-12(3)16(21-15(10)13)17(20)19-14-7-8-18-9-11(14)2;/h4-6,11,14,18H,7-9H2,1-3H3,(H,19,20);1H.
What are the key properties of 3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride?
3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120556358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).