4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one

C24H32N2O5 — CID 28746

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one
SMILESCOc1ccccc1N1CCN(CCCC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C24H32N2O5/c1-28-21-10-6-5-8-19(21)26-14-12-25(13-15-26)11-7-9-20(27)18-16-22(29-2)24(31-4)23(17-18)30-3/h5-6,8,10,16-17H,7,9,11-15H2,1-4H3
InChIKeyAFJXHWKCYUGBDP-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.51
Rot. Bonds10

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one

4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one (PubChem CID 28746) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one
PubChem CID28746
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one
SMILESCOc1ccccc1N1CCN(CCCC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C24H32N2O5/c1-28-21-10-6-5-8-19(21)26-14-12-25(13-15-26)11-7-9-20(27)18-16-22(29-2)24(31-4)23(17-18)30-3/h5-6,8,10,16-17H,7,9,11-15H2,1-4H3
InChIKeyAFJXHWKCYUGBDP-UHFFFAOYSA-N
XLogP3.51
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one (CID 28746) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one is COc1ccccc1N1CCN(CCCC(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one?
The InChIKey is AFJXHWKCYUGBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-28-21-10-6-5-8-19(21)26-14-12-25(13-15-26)11-7-9-20(27)18-16-22(29-2)24(31-4)23(17-18)30-3/h5-6,8,10,16-17H,7,9,11-15H2,1-4H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one has a molecular weight of 428.53 g/mol, XLogP of 3.51, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)butan-1-one is sourced from PubChem (CID 28746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).