2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one

C18H21Cl2N3O2 — CID 127050806

IUPAC2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one
SMILESO=c1ccc(OCCCN2CCCCC2)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H21Cl2N3O2/c19-14-5-6-15(20)16(13-14)23-18(24)8-7-17(21-23)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12H2
InChIKeyRLJSTWOMEJIIBA-UHFFFAOYSA-N
MW382.29 g/mol
LogP3.79
Rot. Bonds6

About 2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one

2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one (PubChem CID 127050806) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one
PubChem CID127050806
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC Name2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one
SMILESO=c1ccc(OCCCN2CCCCC2)nn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H21Cl2N3O2/c19-14-5-6-15(20)16(13-14)23-18(24)8-7-17(21-23)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12H2
InChIKeyRLJSTWOMEJIIBA-UHFFFAOYSA-N
XLogP3.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.79
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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Related Compounds

2-(3,4-dichlorophenyl)-6-(4-morpholin-4-ylbutoxy)pyridazin-3-one
CID 148898891
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11674772
2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one
CID 134130676
1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
CID 11667265
1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine
CID 11689464
1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
CID 11689185
[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid
CID 169002752
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
4-[3-(2,5-dichlorophenoxy)propyl]piperazine-1-carboxylic acid
CID 69460127

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
The IUPAC name of 2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one (CID 127050806) is 2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
The canonical SMILES for 2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one is O=c1ccc(OCCCN2CCCCC2)nn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
The InChIKey is RLJSTWOMEJIIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c19-14-5-6-15(20)16(13-14)23-18(24)8-7-17(21-23)25-12-4-11-22-9-2-1-3-10-22/h5-8,13H,1-4,9-12H2.
What are the key properties of 2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one?
2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one has a molecular weight of 382.29 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-6-(3-piperidin-1-ylpropoxy)pyridazin-3-one is sourced from PubChem (CID 127050806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).