3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one

C18H23N3O2 — CID 24992516

IUPAC3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)n[nH]1
InChIInChI=1S/C18H23N3O2/c22-18-10-9-17(19-20-18)15-5-7-16(8-6-15)23-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-14H2,(H,20,22)
InChIKeyIMHDBSPIICNYKZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds6

About 3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one

3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one (PubChem CID 24992516) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
PubChem CID24992516
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)n[nH]1
InChIInChI=1S/C18H23N3O2/c22-18-10-9-17(19-20-18)15-5-7-16(8-6-15)23-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-14H2,(H,20,22)
InChIKeyIMHDBSPIICNYKZ-UHFFFAOYSA-N
XLogP2.69
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one (CID 24992516) is 3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)n[nH]1.
What is the InChIKey of 3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
The InChIKey is IMHDBSPIICNYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-18-10-9-17(19-20-18)15-5-7-16(8-6-15)23-14-4-13-21-11-2-1-3-12-21/h5-10H,1-4,11-14H2,(H,20,22).
What are the key properties of 3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one has a molecular weight of 313.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 24992516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).