1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone

C22H28N2O5 — CID 8867499

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C22H28N2O5/c1-26-18-8-6-5-7-17(18)23-11-13-24(14-12-23)20(25)15-16-9-10-19(27-2)22(29-4)21(16)28-3/h5-10H,11-15H2,1-4H3
InChIKeyCBXYXJQMWKDTSI-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.61
Rot. Bonds7

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone (PubChem CID 8867499) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
PubChem CID8867499
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cc2ccc(OC)c(OC)c2OC)CC1
InChIInChI=1S/C22H28N2O5/c1-26-18-8-6-5-7-17(18)23-11-13-24(14-12-23)20(25)15-16-9-10-19(27-2)22(29-4)21(16)28-3/h5-10H,11-15H2,1-4H3
InChIKeyCBXYXJQMWKDTSI-UHFFFAOYSA-N
XLogP2.61
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 9071450
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]acetate
CID 7317127
2-isocyano-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 12017077
4-(2-methoxyphenyl)-N'-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111133606
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501
2-(3-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 26534618
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
CID 46422555
2-(5-fluoro-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860190
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860278
3-(2-methoxy-5-methylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 47877476

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone (CID 8867499) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone is COc1ccccc1N1CCN(C(=O)Cc2ccc(OC)c(OC)c2OC)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
The InChIKey is CBXYXJQMWKDTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-26-18-8-6-5-7-17(18)23-11-13-24(14-12-23)20(25)15-16-9-10-19(27-2)22(29-4)21(16)28-3/h5-10H,11-15H2,1-4H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone has a molecular weight of 400.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone is sourced from PubChem (CID 8867499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).