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

C14H21N3O3 — CID 107507891

IUPAC2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C14H21N3O3/c1-11-3-5-16(6-4-11)12-7-14(19)17(15-8-12)9-13(18)10-20-2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyWUEOCRRONQXRBN-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.70
Rot. Bonds5

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

2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one (PubChem CID 107507891) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
PubChem CID107507891
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCC(C)CC2)cc1=O
InChIInChI=1S/C14H21N3O3/c1-11-3-5-16(6-4-11)12-7-14(19)17(15-8-12)9-13(18)10-20-2/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyWUEOCRRONQXRBN-UHFFFAOYSA-N
XLogP0.70
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-[Ethyl(methyl)amino]-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507890
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-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 107507894
2-(3-Methoxy-2-oxopropyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 107507895
5-(4-Methylpiperidin-1-yl)-2-(2-oxobutyl)pyridazin-3-one
CID 113579588
2-[4-(4-Methoxypiperidin-1-yl)-6-oxopyridazin-1-yl]acetaldehyde
CID 113579596
5-(4-Methoxypiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 113579597

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one (CID 107507891) is 2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one is COCC(=O)Cn1ncc(N2CCC(C)CC2)cc1=O.
What is the InChIKey of 2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is WUEOCRRONQXRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11-3-5-16(6-4-11)12-7-14(19)17(15-8-12)9-13(18)10-20-2/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one?
2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 279.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-oxopropyl)-5-(4-methylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 107507891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).