methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate

C13H19N3O3 — CID 59144402

IUPACmethyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate
SMILESCOC(=O)CCn1nc(N2CCCCC2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-19-13(18)7-10-16-12(17)6-5-11(14-16)15-8-3-2-4-9-15/h5-6H,2-4,7-10H2,1H3
InChIKeyRTHWQFDGWGWCCP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.80
Rot. Bonds4

About methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate

methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate (PubChem CID 59144402) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate
PubChem CID59144402
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate
SMILESCOC(=O)CCn1nc(N2CCCCC2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-19-13(18)7-10-16-12(17)6-5-11(14-16)15-8-3-2-4-9-15/h5-6H,2-4,7-10H2,1H3
InChIKeyRTHWQFDGWGWCCP-UHFFFAOYSA-N
XLogP0.80
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate?
The IUPAC name of methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate (CID 59144402) is methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate?
The canonical SMILES for methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate is COC(=O)CCn1nc(N2CCCCC2)ccc1=O.
What is the InChIKey of methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate?
The InChIKey is RTHWQFDGWGWCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-13(18)7-10-16-12(17)6-5-11(14-16)15-8-3-2-4-9-15/h5-6H,2-4,7-10H2,1H3.
What are the key properties of methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate?
methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate has a molecular weight of 265.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-oxo-3-piperidin-1-ylpyridazin-1-yl)propanoate is sourced from PubChem (CID 59144402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).