1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone

C17H22N2O2 — CID 43797305

IUPAC1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
SMILESCN(C)C1CCN(CC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H22N2O2/c1-18(2)14-7-9-19(10-8-14)12-15(20)17-11-13-5-3-4-6-16(13)21-17/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyKIQBPGGEBXEUPH-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.64
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone

1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone (PubChem CID 43797305) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
PubChem CID43797305
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
SMILESCN(C)C1CCN(CC(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C17H22N2O2/c1-18(2)14-7-9-19(10-8-14)12-15(20)17-11-13-5-3-4-6-16(13)21-17/h3-6,11,14H,7-10,12H2,1-2H3
InChIKeyKIQBPGGEBXEUPH-UHFFFAOYSA-N
XLogP2.64
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(1-benzofuran-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024611
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
CID 61445139
1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206433
1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 14509719
1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960519
1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973085
1-(1-benzofuran-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62974685
1-(1-benzofuran-2-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102782504
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
CID 60774223
1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 71757920
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
CID 62025543

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone (CID 43797305) is 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone is CN(C)C1CCN(CC(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone?
The InChIKey is KIQBPGGEBXEUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18(2)14-7-9-19(10-8-14)12-15(20)17-11-13-5-3-4-6-16(13)21-17/h3-6,11,14H,7-10,12H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone?
1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone has a molecular weight of 286.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43797305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).