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

C22H23N3O4 — CID 16669577

IUPAC6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
SMILESCOc1cccc(CC(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)c1
InChIInChI=1S/C22H23N3O4/c1-28-18-5-2-4-16(14-18)15-22(27)24-11-9-17(10-12-24)25-21(26)8-7-19(23-25)20-6-3-13-29-20/h2-8,13-14,17H,9-12,15H2,1H3
InChIKeyLJWSFYLCRHGQNP-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.92
Rot. Bonds5

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

6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one (PubChem CID 16669577) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
PubChem CID16669577
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
SMILESCOc1cccc(CC(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)c1
InChIInChI=1S/C22H23N3O4/c1-28-18-5-2-4-16(14-18)15-22(27)24-11-9-17(10-12-24)25-21(26)8-7-19(23-25)20-6-3-13-29-20/h2-8,13-14,17H,9-12,15H2,1H3
InChIKeyLJWSFYLCRHGQNP-UHFFFAOYSA-N
XLogP2.92
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 16670583
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
CID 16671079
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
CID 46950592
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
1-benzyl-3-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]imidazolidin-2-one
CID 50789384
1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone
CID 66865490
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
2-(3-methoxyphenyl)-1-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 53121815
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 32531628
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one (CID 16669577) is 6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one is COc1cccc(CC(=O)N2CCC(n3nc(-c4ccco4)ccc3=O)CC2)c1.
What is the InChIKey of 6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one?
The InChIKey is LJWSFYLCRHGQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-18-5-2-4-16(14-18)15-22(27)24-11-9-17(10-12-24)25-21(26)8-7-19(23-25)20-6-3-13-29-20/h2-8,13-14,17H,9-12,15H2,1H3.
What are the key properties of 6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one?
6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one has a molecular weight of 393.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one is sourced from PubChem (CID 16669577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).