2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one

C20H27N3O2 — CID 24995990

IUPAC2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
SMILESCc1nn(C)c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C20H27N3O2/c1-16-19(15-20(24)22(2)21-16)17-7-9-18(10-8-17)25-14-6-13-23-11-4-3-5-12-23/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeyZDCLGHCQWVFXJS-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.01
Rot. Bonds6

About 2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one

2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one (PubChem CID 24995990) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
PubChem CID24995990
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
SMILESCc1nn(C)c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C20H27N3O2/c1-16-19(15-20(24)22(2)21-16)17-7-9-18(10-8-17)25-14-6-13-23-11-4-3-5-12-23/h7-10,15H,3-6,11-14H2,1-2H3
InChIKeyZDCLGHCQWVFXJS-UHFFFAOYSA-N
XLogP3.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The IUPAC name of 2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one (CID 24995990) is 2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one.
What is the SMILES notation for 2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The canonical SMILES for 2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one is Cc1nn(C)c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The InChIKey is ZDCLGHCQWVFXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-16-19(15-20(24)22(2)21-16)17-7-9-18(10-8-17)25-14-6-13-23-11-4-3-5-12-23/h7-10,15H,3-6,11-14H2,1-2H3.
What are the key properties of 2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one has a molecular weight of 341.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one is sourced from PubChem (CID 24995990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).