[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

C21H22N2O3 — CID 2999788

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2C)CC1
InChIInChI=1S/C21H22N2O3/c1-15-16-7-3-5-9-18(16)26-20(15)21(24)23-13-11-22(12-14-23)17-8-4-6-10-19(17)25-2/h3-10H,11-14H2,1-2H3
InChIKeySQZJIWBDRFFQNA-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.71
Rot. Bonds3

About [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 2999788) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID2999788
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2C)CC1
InChIInChI=1S/C21H22N2O3/c1-15-16-7-3-5-9-18(16)26-20(15)21(24)23-13-11-22(12-14-23)17-8-4-6-10-19(17)25-2/h3-10H,11-14H2,1-2H3
InChIKeySQZJIWBDRFFQNA-UHFFFAOYSA-N
XLogP3.71
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (CID 2999788) is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is COc1ccccc1N1CCN(C(=O)c2oc3ccccc3c2C)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is SQZJIWBDRFFQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-16-7-3-5-9-18(16)26-20(15)21(24)23-13-11-22(12-14-23)17-8-4-6-10-19(17)25-2/h3-10H,11-14H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 2999788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).