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

C19H25N3O2 — CID 59651971

IUPAC5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(OCCCN3CCCCC3)cc2)n[nH]c1=O
InChIInChI=1S/C19H25N3O2/c1-15-14-18(20-21-19(15)23)16-6-8-17(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14H,2-5,10-13H2,1H3,(H,21,23)
InChIKeyZXNQAPWNWNINQT-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.00
Rot. Bonds6

About 5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one

5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one (PubChem CID 59651971) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
PubChem CID59651971
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(OCCCN3CCCCC3)cc2)n[nH]c1=O
InChIInChI=1S/C19H25N3O2/c1-15-14-18(20-21-19(15)23)16-6-8-17(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14H,2-5,10-13H2,1H3,(H,21,23)
InChIKeyZXNQAPWNWNINQT-UHFFFAOYSA-N
XLogP3.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.00
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

5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 56663350
4-methyl-2-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 163681744
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460
2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 143618011
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 59651922
3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline
CID 145305813
5-[4-(3-piperidin-1-ylpropoxy)phenyl]-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
CID 118734855
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
3-[3-amino-6-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyrazin-2-yl]-1H-pyrazole-5-carboxamide
CID 176895440

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one (CID 59651971) is 5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one is Cc1cc(-c2ccc(OCCCN3CCCCC3)cc2)n[nH]c1=O.
What is the InChIKey of 5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
The InChIKey is ZXNQAPWNWNINQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-14-18(20-21-19(15)23)16-6-8-17(9-7-16)24-13-5-12-22-10-3-2-4-11-22/h6-9,14H,2-5,10-13H2,1H3,(H,21,23).
What are the key properties of 5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one?
5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one has a molecular weight of 327.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 59651971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).