2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

C18H23N3O2S — CID 95286772

IUPAC2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3[C@H](C)CCC[C@@H]3C)n2)s1
InChIInChI=1S/C18H23N3O2S/c1-12-5-4-6-13(2)21(12)18(23)11-20-17(22)10-8-15(19-20)16-9-7-14(3)24-16/h7-10,12-13H,4-6,11H2,1-3H3/t12-,13+
InChIKeyMJGVIKYFICHWGH-BETUJISGSA-N
MW345.47 g/mol
LogP3.07
Rot. Bonds3

About 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one

2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (PubChem CID 95286772) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
PubChem CID95286772
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3[C@H](C)CCC[C@@H]3C)n2)s1
InChIInChI=1S/C18H23N3O2S/c1-12-5-4-6-13(2)21(12)18(23)11-20-17(22)10-8-15(19-20)16-9-7-14(3)24-16/h7-10,12-13H,4-6,11H2,1-3H3/t12-,13+
InChIKeyMJGVIKYFICHWGH-BETUJISGSA-N
XLogP3.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one with MolForge

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Related Compounds

2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286774
4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 51496325
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95284309
N-[(1S,2S)-2-methylcyclohexyl]-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 94799870
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 47088436
N-(1-cyanocyclopentyl)-2-[3-(5-methylthiophen-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 51100633
4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
CID 51495017
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104966869
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide
CID 99802787
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 111476721
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8852227
6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7664527

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The IUPAC name of 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one (CID 95286772) is 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(=O)N3[C@H](C)CCC[C@@H]3C)n2)s1.
What is the InChIKey of 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
The InChIKey is MJGVIKYFICHWGH-BETUJISGSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-5-4-6-13(2)21(12)18(23)11-20-17(22)10-8-15(19-20)16-9-7-14(3)24-16/h7-10,12-13H,4-6,11H2,1-3H3/t12-,13+.
What are the key properties of 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one?
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one has a molecular weight of 345.47 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one is sourced from PubChem (CID 95286772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).