4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one

C10H15N3O2 — CID 102971129

IUPAC4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one
SMILESCOC1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C10H15N3O2/c1-15-9-3-2-4-13(7-9)8-5-10(14)12-11-6-8/h5-6,9H,2-4,7H2,1H3,(H,12,14)
InChIKeyIREQJRDERAXXRP-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.39
Rot. Bonds2

About 4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one

4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one (PubChem CID 102971129) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one
PubChem CID102971129
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one
SMILESCOC1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C10H15N3O2/c1-15-9-3-2-4-13(7-9)8-5-10(14)12-11-6-8/h5-6,9H,2-4,7H2,1H3,(H,12,14)
InChIKeyIREQJRDERAXXRP-UHFFFAOYSA-N
XLogP0.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one (CID 102971129) is 4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one is COC1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is IREQJRDERAXXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-9-3-2-4-13(7-9)8-5-10(14)12-11-6-8/h5-6,9H,2-4,7H2,1H3,(H,12,14).
What are the key properties of 4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one?
4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypiperidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 102971129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).