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

C20H27N3O2 — CID 68895820

IUPAC2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one
SMILESCc1cc(-c2ccc(OCCCC3CCCNC3)cc2)nn(C)c1=O
InChIInChI=1S/C20H27N3O2/c1-15-13-19(22-23(2)20(15)24)17-7-9-18(10-8-17)25-12-4-6-16-5-3-11-21-14-16/h7-10,13,16,21H,3-6,11-12,14H2,1-2H3
InChIKeyOPNJXBGPRXAQIM-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.91
Rot. Bonds6

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

2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one (PubChem CID 68895820) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one
PubChem CID68895820
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one
SMILESCc1cc(-c2ccc(OCCCC3CCCNC3)cc2)nn(C)c1=O
InChIInChI=1S/C20H27N3O2/c1-15-13-19(22-23(2)20(15)24)17-7-9-18(10-8-17)25-12-4-6-16-5-3-11-21-14-16/h7-10,13,16,21H,3-6,11-12,14H2,1-2H3
InChIKeyOPNJXBGPRXAQIM-UHFFFAOYSA-N
XLogP2.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Irdabisant
CID 25070031
Irdabisant Hydrochloride
CID 53363810
2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 23725172
3-methyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 54753627
(4R)-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 57396087
(4S)-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 57403054
2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24992190
3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 24992516
3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one
CID 24993499
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one
CID 24993500
2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24995678
6-[4-(1-Cyclopentylpiperidin-4-yl)oxyphenyl]-2-methylpyridazin-3-one
CID 24995679

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one?
The IUPAC name of 2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one (CID 68895820) is 2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one.
What is the SMILES notation for 2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one?
The canonical SMILES for 2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one is Cc1cc(-c2ccc(OCCCC3CCCNC3)cc2)nn(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one?
The InChIKey is OPNJXBGPRXAQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-13-19(22-23(2)20(15)24)17-7-9-18(10-8-17)25-12-4-6-16-5-3-11-21-14-16/h7-10,13,16,21H,3-6,11-12,14H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one?
2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one has a molecular weight of 341.46 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[4-(3-piperidin-3-ylpropoxy)phenyl]pyridazin-3-one is sourced from PubChem (CID 68895820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).