6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one

C25H26FN3O4 — CID 46950592

IUPAC6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
SMILESCOc1ccc(CC(=O)N2CCC(n3nc(-c4ccc(OC)c(F)c4)ccc3=O)CC2)cc1
InChIInChI=1S/C25H26FN3O4/c1-32-20-6-3-17(4-7-20)15-25(31)28-13-11-19(12-14-28)29-24(30)10-8-22(27-29)18-5-9-23(33-2)21(26)16-18/h3-10,16,19H,11-15H2,1-2H3
InChIKeyRVUXAILGJKNVAC-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.47
Rot. Bonds6

About 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one

6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one (PubChem CID 46950592) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
PubChem CID46950592
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
SMILESCOc1ccc(CC(=O)N2CCC(n3nc(-c4ccc(OC)c(F)c4)ccc3=O)CC2)cc1
InChIInChI=1S/C25H26FN3O4/c1-32-20-6-3-17(4-7-20)15-25(31)28-13-11-19(12-14-28)29-24(30)10-8-22(27-29)18-5-9-23(33-2)21(26)16-18/h3-10,16,19H,11-15H2,1-2H3
InChIKeyRVUXAILGJKNVAC-UHFFFAOYSA-N
XLogP3.47
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one with MolForge

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Related Compounds

2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one
CID 95807602
6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
CID 16669577
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691
1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 53089691
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
3-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160207
2-[1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 119178808
2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-6-thiophen-2-ylpyridazin-3-one
CID 16671052
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511
2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 46096662
2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16669446
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one (CID 46950592) is 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one is COc1ccc(CC(=O)N2CCC(n3nc(-c4ccc(OC)c(F)c4)ccc3=O)CC2)cc1.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one?
The InChIKey is RVUXAILGJKNVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-32-20-6-3-17(4-7-20)15-25(31)28-13-11-19(12-14-28)29-24(30)10-8-22(27-29)18-5-9-23(33-2)21(26)16-18/h3-10,16,19H,11-15H2,1-2H3.
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one?
6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one has a molecular weight of 451.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one is sourced from PubChem (CID 46950592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).