2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one

C18H23N3O2S — CID 16675943

IUPAC2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C)C(=O)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C18H23N3O2S/c1-13(2)18(23)20-9-3-5-14(11-20)12-21-17(22)8-7-15(19-21)16-6-4-10-24-16/h4,6-8,10,13-14H,3,5,9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDEHMRUBFTUHQOT-CQSZACIVSA-N
MW345.47 g/mol
LogP2.87
Rot. Bonds4

About 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one

2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one (PubChem CID 16675943) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
PubChem CID16675943
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
SMILESCC(C)C(=O)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1
InChIInChI=1S/C18H23N3O2S/c1-13(2)18(23)20-9-3-5-14(11-20)12-21-17(22)8-7-15(19-21)16-6-4-10-24-16/h4,6-8,10,13-14H,3,5,9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyDEHMRUBFTUHQOT-CQSZACIVSA-N
XLogP2.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one with MolForge

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Related Compounds

4-Amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)-6-thiophen-2-ylpyridazin-3-one
CID 46961317
2-[2-(1-azepanyl)-2-oxoethyl]-6-(2-thienyl)-3(2H)-pyridazinone
CID 52897462
3,4-dimethyl-5-[4-(2-thiophen-2-ylethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 53510916
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-2-propylpentanamide
CID 16905713
1-{4-[6-Oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]butanoyl}piperidine-4-carboxamide
CID 25854566
N-(3-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)propyl)propionamide
CID 42138769
N-(sec-butyl)-4-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)butanamide
CID 44025485
6-(4-Fluorophenyl)-2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 16670628
N,1-dimethyl-N-[(3-methyl-2-thienyl)methyl]-6-oxo-1,6-dihydro-3-pyridazinecarboxamide
CID 29049954
2-[[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 46959201
2-[3-(4-Ethylpiperazin-1-yl)propyl]-6-phenyl-4-(thiophen-2-ylmethyl)pyridazin-3-one
CID 76322438
2-[[(3R)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one
CID 16675865

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The IUPAC name of 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one (CID 16675943) is 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one.
What is the SMILES notation for 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The canonical SMILES for 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one is CC(C)C(=O)N1CCC[C@@H](Cn2nc(-c3cccs3)ccc2=O)C1.
What is the InChIKey of 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
The InChIKey is DEHMRUBFTUHQOT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13(2)18(23)20-9-3-5-14(11-20)12-21-17(22)8-7-15(19-21)16-6-4-10-24-16/h4,6-8,10,13-14H,3,5,9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one?
2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one has a molecular weight of 345.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-6-thiophen-2-ylpyridazin-3-one is sourced from PubChem (CID 16675943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).