2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

C14H23N3O2 — CID 126863942

IUPAC2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCOCCN1CCC(Cn2nc(C)ccc2=O)CC1
InChIInChI=1S/C14H23N3O2/c1-12-3-4-14(18)17(15-12)11-13-5-7-16(8-6-13)9-10-19-2/h3-4,13H,5-11H2,1-2H3
InChIKeyMHLGTDLWUQYZMN-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.91
Rot. Bonds5

About 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one

2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126863942) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126863942
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCOCCN1CCC(Cn2nc(C)ccc2=O)CC1
InChIInChI=1S/C14H23N3O2/c1-12-3-4-14(18)17(15-12)11-13-5-7-16(8-6-13)9-10-19-2/h3-4,13H,5-11H2,1-2H3
InChIKeyMHLGTDLWUQYZMN-UHFFFAOYSA-N
XLogP0.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
4-[2-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]ethyl]-1,4-oxazepan-3-one
CID 126864129
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
6-methyl-2-[[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864063
6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864051
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
6-methyl-2-[[1-(1-phenylethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863947
2-[[1-[(2-cyclopropylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864046
2-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863952
6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941650
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
3-methyl-6-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 126863992

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126863942) is 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is COCCN1CCC(Cn2nc(C)ccc2=O)CC1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is MHLGTDLWUQYZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12-3-4-14(18)17(15-12)11-13-5-7-16(8-6-13)9-10-19-2/h3-4,13H,5-11H2,1-2H3.
What are the key properties of 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126863942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).