2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide

C25H27N3O5 — CID 16802987

IUPAC2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)Nc3ccccc3)co2)CC1
InChIInChI=1S/C25H27N3O5/c1-31-23-10-6-5-9-21(23)28-13-11-27(12-14-28)16-20-15-22(29)24(17-32-20)33-18-25(30)26-19-7-3-2-4-8-19/h2-10,15,17H,11-14,16,18H2,1H3,(H,26,30)
InChIKeyMWEFGIPKESJPKD-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.99
Rot. Bonds8

About 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide

2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide (PubChem CID 16802987) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
PubChem CID16802987
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Name2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
SMILESCOc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)Nc3ccccc3)co2)CC1
InChIInChI=1S/C25H27N3O5/c1-31-23-10-6-5-9-21(23)28-13-11-27(12-14-28)16-20-15-22(29)24(17-32-20)33-18-25(30)26-19-7-3-2-4-8-19/h2-10,15,17H,11-14,16,18H2,1H3,(H,26,30)
InChIKeyMWEFGIPKESJPKD-UHFFFAOYSA-N
XLogP2.99
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide
CID 7178584
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-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 18575664
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 7178427
2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(3-nitrophenyl)acetamide
CID 16822777
2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 7178264
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
N-(2,3-dimethylphenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 16802988
N-cyclopentyl-2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxyacetamide
CID 18575688
N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51054597

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The IUPAC name of 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide (CID 16802987) is 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The canonical SMILES for 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide is COc1ccccc1N1CCN(Cc2cc(=O)c(OCC(=O)Nc3ccccc3)co2)CC1.
What is the InChIKey of 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The InChIKey is MWEFGIPKESJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-31-23-10-6-5-9-21(23)28-13-11-27(12-14-28)16-20-15-22(29)24(17-32-20)33-18-25(30)26-19-7-3-2-4-8-19/h2-10,15,17H,11-14,16,18H2,1H3,(H,26,30).
What are the key properties of 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide?
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide has a molecular weight of 449.51 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide is sourced from PubChem (CID 16802987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).