2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride

C18H25ClN2O2 — CID 120557704

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCc1ccc2c(CC(=O)NC3CCNCC3C)coc2c1C.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-11-4-5-15-14(10-22-18(15)13(11)3)8-17(21)20-16-6-7-19-9-12(16)2;/h4-5,10,12,16,19H,6-9H2,1-3H3,(H,20,21);1H
InChIKeyCUBGWCRTYGLWBR-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.13
Rot. Bonds3

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride (PubChem CID 120557704) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
PubChem CID120557704
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
SMILESCc1ccc2c(CC(=O)NC3CCNCC3C)coc2c1C.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-11-4-5-15-14(10-22-18(15)13(11)3)8-17(21)20-16-6-7-19-9-12(16)2;/h4-5,10,12,16,19H,6-9H2,1-3H3,(H,20,21);1H
InChIKeyCUBGWCRTYGLWBR-UHFFFAOYSA-N
XLogP3.13
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9403737
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120598292
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 78767344
N-(3-methylpiperidin-4-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 120557695
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17466272
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 17441796
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
3,7-dimethyl-N-(3-methylpiperidin-4-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 120556358

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride (CID 120557704) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride is Cc1ccc2c(CC(=O)NC3CCNCC3C)coc2c1C.Cl.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
The InChIKey is CUBGWCRTYGLWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c1-11-4-5-15-14(10-22-18(15)13(11)3)8-17(21)20-16-6-7-19-9-12(16)2;/h4-5,10,12,16,19H,6-9H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120557704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).