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

C25H24N2O3 — CID 7494612

IUPAC[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3oc4c(ccc5ccccc54)c3C)CC2)c1
InChIInChI=1S/C25H24N2O3/c1-17-21-11-10-18-6-3-4-9-22(18)24(21)30-23(17)25(28)27-14-12-26(13-15-27)19-7-5-8-20(16-19)29-2/h3-11,16H,12-15H2,1-2H3
InChIKeyJEDPRBYAIOTQBV-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.87
Rot. Bonds3

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

[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone (PubChem CID 7494612) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone
PubChem CID7494612
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone
SMILESCOc1cccc(N2CCN(C(=O)c3oc4c(ccc5ccccc54)c3C)CC2)c1
InChIInChI=1S/C25H24N2O3/c1-17-21-11-10-18-6-3-4-9-22(18)24(21)30-23(17)25(28)27-14-12-26(13-15-27)19-7-5-8-20(16-19)29-2/h3-11,16H,12-15H2,1-2H3
InChIKeyJEDPRBYAIOTQBV-UHFFFAOYSA-N
XLogP4.87
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573803
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
(3-methylbenzo[g][1]benzofuran-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832793
[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 71511329
(4-ethylpiperazin-4-ium-1-yl)-(3-methylbenzo[g][1]benzofuran-2-yl)methanone
CID 9070915
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2023384
(3-methylbenzo[g][1]benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 71904388
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35181036
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone?
The IUPAC name of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone (CID 7494612) is [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone.
What is the SMILES notation for [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone?
The canonical SMILES for [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone is COc1cccc(N2CCN(C(=O)c3oc4c(ccc5ccccc54)c3C)CC2)c1.
What is the InChIKey of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone?
The InChIKey is JEDPRBYAIOTQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-21-11-10-18-6-3-4-9-22(18)24(21)30-23(17)25(28)27-14-12-26(13-15-27)19-7-5-8-20(16-19)29-2/h3-11,16H,12-15H2,1-2H3.
What are the key properties of [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone?
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone has a molecular weight of 400.48 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone is sourced from PubChem (CID 7494612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).