2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C21H24N2O3 — CID 71706113

IUPAC2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)OCC4)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-25-19-6-4-18(5-7-19)22-9-11-23(12-10-22)21(24)15-16-2-3-17-8-13-26-20(17)14-16/h2-7,14H,8-13,15H2,1H3
InChIKeySQDBZTZZACIXBM-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.52
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 71706113) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID71706113
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)OCC4)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-25-19-6-4-18(5-7-19)22-9-11-23(12-10-22)21(24)15-16-2-3-17-8-13-26-20(17)14-16/h2-7,14H,8-13,15H2,1H3
InChIKeySQDBZTZZACIXBM-UHFFFAOYSA-N
XLogP2.52
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110774399
2-(4-methoxyphenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2839448
5-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-1-methyl-3H-indol-2-one
CID 110640960
2-(4-methoxyphenyl)-1-(3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinolin-7-yl)ethanone
CID 110647096
2-(3,4-dihydro-2H-chromen-6-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110771138
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585
2-(4-fluorophenyl)-1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37404624
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 71706113) is 2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)OCC4)CC2)cc1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is SQDBZTZZACIXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-19-6-4-18(5-7-19)22-9-11-23(12-10-22)21(24)15-16-2-3-17-8-13-26-20(17)14-16/h2-7,14H,8-13,15H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 352.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71706113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).