2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one

C14H21N3O — CID 29023190

IUPAC2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCC(C)=CCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C14H21N3O/c1-12(2)6-9-17-14(18)10-13(11-15-17)16-7-4-3-5-8-16/h6,10-11H,3-5,7-9H2,1-2H3
InChIKeyPJLOUUWVVYQKKS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.20
Rot. Bonds3

About 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one

2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 29023190) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID29023190
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCC(C)=CCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C14H21N3O/c1-12(2)6-9-17-14(18)10-13(11-15-17)16-7-4-3-5-8-16/h6,10-11H,3-5,7-9H2,1-2H3
InChIKeyPJLOUUWVVYQKKS-UHFFFAOYSA-N
XLogP2.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-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

N-butyl-N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202111
N,N-dimethyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202142
N-butyl-N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202190
N-methyl-1-(6-oxo-1-propyl-1,6-dihydro-4-pyridazinyl)-N-propyl-4-piperidinecarboxamide
CID 53202201
Trifluoro-[3-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746474
Trifluoro-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]boranuide
CID 114398756
Trifluoro-[[4-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398769
Trifluoro-[[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398778
2-[2-(ethylthio)ethyl]-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29085418
2-[2-(1-azepanyl)ethyl]-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 29180411
2-methyl-5-(piperidin-1-yl)pyridazin-3(2H)-one
CID 13103626
2-Methyl-5-(4-methylpiperazin-1-yl)pyridazin-3(2H)-one
CID 58484354

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one (CID 29023190) is 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one is CC(C)=CCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is PJLOUUWVVYQKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12(2)6-9-17-14(18)10-13(11-15-17)16-7-4-3-5-8-16/h6,10-11H,3-5,7-9H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one?
2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 247.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 29023190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).