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

C18H23N3O2 — CID 56946195

IUPAC4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(OCCCN3CCCCC3)cc2)cn[nH]1
InChIInChI=1S/C18H23N3O2/c22-18-13-16(14-19-20-18)15-5-7-17(8-6-15)23-12-4-11-21-9-2-1-3-10-21/h5-8,13-14H,1-4,9-12H2,(H,20,22)
InChIKeyZSXVTCQOHADCFY-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds6

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

4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one (PubChem CID 56946195) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
PubChem CID56946195
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(OCCCN3CCCCC3)cc2)cn[nH]1
InChIInChI=1S/C18H23N3O2/c22-18-13-16(14-19-20-18)15-5-7-17(8-6-15)23-12-4-11-21-9-2-1-3-10-21/h5-8,13-14H,1-4,9-12H2,(H,20,22)
InChIKeyZSXVTCQOHADCFY-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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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
4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 53363442
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
N'-(3,4-diethoxybenzylidene)-2-(1-piperidinyl)acetohydrazide
CID 6871734
2-(4-Allyloxy-benzylidene-hydrazinocarbonyl)-N-cyclohexyl-acetamide
CID 9591587
3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 24992516
6-[4-(1-Cyclobutyl-piperidin-4-yloxy)-phenyl]-4,5-dihydro-2H-pyridazin-3-one
CID 24993176
3-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1H-pyridazin-6-one
CID 24993499

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one (CID 56946195) is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one is O=c1cc(-c2ccc(OCCCN3CCCCC3)cc2)cn[nH]1.
What is the InChIKey of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
The InChIKey is ZSXVTCQOHADCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-18-13-16(14-19-20-18)15-5-7-17(8-6-15)23-12-4-11-21-9-2-1-3-10-21/h5-8,13-14H,1-4,9-12H2,(H,20,22).
What are the key properties of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
4-[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 4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 56946195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).