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

C23H25N3O4 — CID 16670583

IUPAC6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCOc1cccc(CC(=O)N2CCC(Cn3nc(-c4ccco4)ccc3=O)CC2)c1
InChIInChI=1S/C23H25N3O4/c1-29-19-5-2-4-18(14-19)15-23(28)25-11-9-17(10-12-25)16-26-22(27)8-7-20(24-26)21-6-3-13-30-21/h2-8,13-14,17H,9-12,15-16H2,1H3
InChIKeyOIQVLWIOLXVNDS-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.99
Rot. Bonds6

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

6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 16670583) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID16670583
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCOc1cccc(CC(=O)N2CCC(Cn3nc(-c4ccco4)ccc3=O)CC2)c1
InChIInChI=1S/C23H25N3O4/c1-29-19-5-2-4-18(14-19)15-23(28)25-11-9-17(10-12-25)16-26-22(27)8-7-20(24-26)21-6-3-13-30-21/h2-8,13-14,17H,9-12,15-16H2,1H3
InChIKeyOIQVLWIOLXVNDS-UHFFFAOYSA-N
XLogP2.99
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-(furan-2-yl)-2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
CID 16669577
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-[5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methoxyphenyl)ethanone
CID 66865490
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 80667787
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156253
2-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-6-phenylpyridazin-3-one
CID 126854681
2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16669446
2-(3-methoxyphenyl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538365
2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one
CID 167763079
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 90495002

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 16670583) is 6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one is COc1cccc(CC(=O)N2CCC(Cn3nc(-c4ccco4)ccc3=O)CC2)c1.
What is the InChIKey of 6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is OIQVLWIOLXVNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-29-19-5-2-4-18(14-19)15-23(28)25-11-9-17(10-12-25)16-26-22(27)8-7-20(24-26)21-6-3-13-30-21/h2-8,13-14,17H,9-12,15-16H2,1H3.
What are the key properties of 6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-(furan-2-yl)-2-[[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 407.47 g/mol, XLogP of 2.99, 6 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]methyl]pyridazin-3-one is sourced from PubChem (CID 16670583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).