2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one

C25H28N2O4 — CID 7178427

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)c(OCc3ccccc3C)co2)CC1
InChIInChI=1S/C25H28N2O4/c1-19-7-3-4-8-20(19)17-31-25-18-30-21(15-23(25)28)16-26-11-13-27(14-12-26)22-9-5-6-10-24(22)29-2/h3-10,15,18H,11-14,16-17H2,1-2H3
InChIKeyYNEWFFATOAFTGZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.86
Rot. Bonds7

About 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one (PubChem CID 7178427) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
PubChem CID7178427
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)c(OCc3ccccc3C)co2)CC1
InChIInChI=1S/C25H28N2O4/c1-19-7-3-4-8-20(19)17-31-25-18-30-21(15-23(25)28)16-26-11-13-27(14-12-26)22-9-5-6-10-24(22)29-2/h3-10,15,18H,11-14,16-17H2,1-2H3
InChIKeyYNEWFFATOAFTGZ-UHFFFAOYSA-N
XLogP3.86
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chlorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16803006
5-[(3-chlorophenyl)methoxy]-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16803011
5-[(2-fluorophenyl)methoxy]-2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]pyran-4-one
CID 7178644
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
CID 16802982
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one
CID 71962562
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide
CID 7178584
5-[(2,5-dimethylphenyl)methoxy]-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]pyran-4-one
CID 16802996
2-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7541783
5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
CID 7178642
2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 71683737
5-methoxy-2-[[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methyl]pyran-4-one
CID 56899648

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one (CID 7178427) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one is COc1ccccc1N1CCN(Cc2cc(=O)c(OCc3ccccc3C)co2)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one?
The InChIKey is YNEWFFATOAFTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-19-7-3-4-8-20(19)17-31-25-18-30-21(15-23(25)28)16-26-11-13-27(14-12-26)22-9-5-6-10-24(22)29-2/h3-10,15,18H,11-14,16-17H2,1-2H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one has a molecular weight of 420.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one is sourced from PubChem (CID 7178427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).