2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone

C17H21NO2 — CID 18872267

IUPAC2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1ccc2c(CC(=O)N3CCC(C)CC3)coc2c1
InChIInChI=1S/C17H21NO2/c1-12-5-7-18(8-6-12)17(19)10-14-11-20-16-9-13(2)3-4-15(14)16/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyKQGPMEGZUHELLK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.54
Rot. Bonds2

About 2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone

2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 18872267) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID18872267
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1ccc2c(CC(=O)N3CCC(C)CC3)coc2c1
InChIInChI=1S/C17H21NO2/c1-12-5-7-18(8-6-12)17(19)10-14-11-20-16-9-13(2)3-4-15(14)16/h3-4,9,11-12H,5-8,10H2,1-2H3
InChIKeyKQGPMEGZUHELLK-UHFFFAOYSA-N
XLogP3.54
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methoxy-1-benzofuran-3-yl)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95138656
2-(6-methyl-1-benzofuran-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 18872264
1-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239499
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 18872277
methyl 1-[2-[2-(6-methyl-1-benzofuran-3-yl)acetyl]oxyacetyl]piperidine-4-carboxylate
CID 2426417
2-(6-methyl-1-benzofuran-3-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 51504317
2-(6-methyl-1-benzofuran-3-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]ethanone
CID 119074902
2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124964719
2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983415
7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one
CID 41180165
methyl 5-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50957815
[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8845835

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone (CID 18872267) is 2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone is Cc1ccc2c(CC(=O)N3CCC(C)CC3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is KQGPMEGZUHELLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-5-7-18(8-6-12)17(19)10-14-11-20-16-9-13(2)3-4-15(14)16/h3-4,9,11-12H,5-8,10H2,1-2H3.
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 18872267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).