2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one

C17H21N3O2S — CID 45229333

IUPAC2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCCC2CCc2cccs2)ccc1=O
InChIInChI=1S/C17H21N3O2S/c1-19-16(21)10-9-15(18-19)17(22)20-11-3-2-5-13(20)7-8-14-6-4-12-23-14/h4,6,9-10,12-13H,2-3,5,7-8,11H2,1H3
InChIKeyXDXNCDFHGAWKGZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.47
Rot. Bonds4

About 2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one

2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 45229333) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
PubChem CID45229333
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
SMILESCn1nc(C(=O)N2CCCCC2CCc2cccs2)ccc1=O
InChIInChI=1S/C17H21N3O2S/c1-19-16(21)10-9-15(18-19)17(22)20-11-3-2-5-13(20)7-8-14-6-4-12-23-14/h4,6,9-10,12-13H,2-3,5,7-8,11H2,1H3
InChIKeyXDXNCDFHGAWKGZ-UHFFFAOYSA-N
XLogP2.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62217813
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327
1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131916813
6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70733217
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 70772329
morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
CID 131910259
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 126447398
5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
CID 97203173
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97125561
(2R)-N-(2-methylsulfonylethyl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 126435167
3-(1-methylpyrazol-4-yl)-1-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]propan-1-one
CID 70733559
morpholin-4-yl-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 95708561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one (CID 45229333) is 2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one is Cn1nc(C(=O)N2CCCCC2CCc2cccs2)ccc1=O.
What is the InChIKey of 2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is XDXNCDFHGAWKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19-16(21)10-9-15(18-19)17(22)20-11-3-2-5-13(20)7-8-14-6-4-12-23-14/h4,6,9-10,12-13H,2-3,5,7-8,11H2,1H3.
What are the key properties of 2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one?
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 331.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 45229333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).