2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one

C26H28N2O4 — CID 71962562

IUPAC2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)c(OCC=Cc3ccccc3)co2)CC1
InChIInChI=1S/C26H28N2O4/c1-30-25-12-6-5-11-23(25)28-15-13-27(14-16-28)19-22-18-24(29)26(20-32-22)31-17-7-10-21-8-3-2-4-9-21/h2-12,18,20H,13-17,19H2,1H3
InChIKeyRZVFRZGUNLDUMA-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.06
Rot. Bonds8

About 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one (PubChem CID 71962562) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one.

Molecular Properties

Compound Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one
PubChem CID71962562
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)c(OCC=Cc3ccccc3)co2)CC1
InChIInChI=1S/C26H28N2O4/c1-30-25-12-6-5-11-23(25)28-15-13-27(14-16-28)19-22-18-24(29)26(20-32-22)31-17-7-10-21-8-3-2-4-9-21/h2-12,18,20H,13-17,19H2,1H3
InChIKeyRZVFRZGUNLDUMA-UHFFFAOYSA-N
XLogP4.06
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7178427
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
CID 16802982
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
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide
CID 7178584
5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl]pyran-4-one
CID 75159586
(E)-N-[[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-3-phenylprop-2-enamide
CID 11826347
5-[(2-fluorophenyl)methoxy]-2-[(4-phenylpiperazin-1-yl)methyl]pyran-4-one
CID 7178642
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166277174
5-methoxy-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyran-4-one
CID 27378207
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one?
The IUPAC name of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one (CID 71962562) is 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one.
What is the SMILES notation for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one?
The canonical SMILES for 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one is COc1ccccc1N1CCN(Cc2cc(=O)c(OCC=Cc3ccccc3)co2)CC1.
What is the InChIKey of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one?
The InChIKey is RZVFRZGUNLDUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-30-25-12-6-5-11-23(25)28-15-13-27(14-16-28)19-22-18-24(29)26(20-32-22)31-17-7-10-21-8-3-2-4-9-21/h2-12,18,20H,13-17,19H2,1H3.
What are the key properties of 2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one?
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(3-phenylprop-2-enoxy)pyran-4-one has a molecular weight of 432.52 g/mol, XLogP of 4.06, 8 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-(3-phenylprop-2-enoxy)pyran-4-one is sourced from PubChem (CID 71962562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).