2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one

C14H21N3O4 — CID 107507894

IUPAC2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCC(OC)CC2)cc1=O
InChIInChI=1S/C14H21N3O4/c1-20-10-12(18)9-17-14(19)7-11(8-15-17)16-5-3-13(21-2)4-6-16/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyTUIYZHREOTUOLU-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.07
Rot. Bonds6

About 2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one

2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (PubChem CID 107507894) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
PubChem CID107507894
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCC(OC)CC2)cc1=O
InChIInChI=1S/C14H21N3O4/c1-20-10-12(18)9-17-14(19)7-11(8-15-17)16-5-3-13(21-2)4-6-16/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyTUIYZHREOTUOLU-UHFFFAOYSA-N
XLogP0.07
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 104920980
2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 104920981
2-(3-Methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 107507885
5-(Dimethylamino)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507886
2-(3-Methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 107507887
2-(3-Methoxy-2-oxopropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 107507888
5-[2-Methoxyethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507889
5-[Ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507890
2-(3-Methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 107507891
2-(3-Methoxy-2-oxopropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 107507892
5-(2,2-Dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507893
2-(3-Methoxy-2-oxopropyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 107507895

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (CID 107507894) is 2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is COCC(=O)Cn1ncc(N2CCC(OC)CC2)cc1=O.
What is the InChIKey of 2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The InChIKey is TUIYZHREOTUOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-20-10-12(18)9-17-14(19)7-11(8-15-17)16-5-3-13(21-2)4-6-16/h7-8,13H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one has a molecular weight of 295.34 g/mol, XLogP of 0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-oxopropyl)-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 107507894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).