4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one

C26H31N3O2 — CID 59651922

IUPAC4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
SMILESCn1nc(-c2ccc(OCCCN3CCCCC3)cc2)cc(Cc2ccccc2)c1=O
InChIInChI=1S/C26H31N3O2/c1-28-26(30)23(19-21-9-4-2-5-10-21)20-25(27-28)22-11-13-24(14-12-22)31-18-8-17-29-15-6-3-7-16-29/h2,4-5,9-14,20H,3,6-8,15-19H2,1H3
InChIKeyIAYXKTJDTHBVJU-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.29
Rot. Bonds8

About 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one

4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one (PubChem CID 59651922) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
PubChem CID59651922
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
SMILESCn1nc(-c2ccc(OCCCN3CCCCC3)cc2)cc(Cc2ccccc2)c1=O
InChIInChI=1S/C26H31N3O2/c1-28-26(30)23(19-21-9-4-2-5-10-21)20-25(27-28)22-11-13-24(14-12-22)31-18-8-17-29-15-6-3-7-16-29/h2,4-5,9-14,20H,3,6-8,15-19H2,1H3
InChIKeyIAYXKTJDTHBVJU-UHFFFAOYSA-N
XLogP4.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzyl-2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 59651910
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 143618011
4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-pyridazine
CID 123635910
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 59651971
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
3-benzylsulfinyl-6-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazine
CID 143841529
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The IUPAC name of 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one (CID 59651922) is 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one.
What is the SMILES notation for 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The canonical SMILES for 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one is Cn1nc(-c2ccc(OCCCN3CCCCC3)cc2)cc(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The InChIKey is IAYXKTJDTHBVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-28-26(30)23(19-21-9-4-2-5-10-21)20-25(27-28)22-11-13-24(14-12-22)31-18-8-17-29-15-6-3-7-16-29/h2,4-5,9-14,20H,3,6-8,15-19H2,1H3.
What are the key properties of 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one?
4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one has a molecular weight of 417.55 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one is sourced from PubChem (CID 59651922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).