1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone

C18H22N2O3 — CID 27258718

IUPAC1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2coc3c(C)c(C)ccc23)CC1
InChIInChI=1S/C18H22N2O3/c1-12-4-5-16-15(11-23-18(16)13(12)2)10-17(22)20-8-6-19(7-9-20)14(3)21/h4-5,11H,6-10H2,1-3H3
InChIKeyGHXJQIYLUDFMGK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.28
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone (PubChem CID 27258718) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
PubChem CID27258718
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2coc3c(C)c(C)ccc23)CC1
InChIInChI=1S/C18H22N2O3/c1-12-4-5-16-15(11-23-18(16)13(12)2)10-17(22)20-8-6-19(7-9-20)14(3)21/h4-5,11H,6-10H2,1-3H3
InChIKeyGHXJQIYLUDFMGK-UHFFFAOYSA-N
XLogP2.28
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 23804650
1-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 45433563
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119646903
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride
CID 119519445
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56793979
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 124611754
2-[4-[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 27806892
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 90493236
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
1-[4-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone
CID 110092810
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
1-(4-acetylpiperazin-1-yl)-2-(5-bromo-2-methylphenyl)ethanone
CID 110774438

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone (CID 27258718) is 1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone is CC(=O)N1CCN(C(=O)Cc2coc3c(C)c(C)ccc23)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone?
The InChIKey is GHXJQIYLUDFMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-4-5-16-15(11-23-18(16)13(12)2)10-17(22)20-8-6-19(7-9-20)14(3)21/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone has a molecular weight of 314.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 27258718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).