5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

C15H24N4O2 — CID 103073100

IUPAC5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N2CCC(OC)CC2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-12(9-16-2)11-19-15(20)8-13(10-17-19)18-6-4-14(21-3)5-7-18/h8,10,14,16H,1,4-7,9,11H2,2-3H3
InChIKeyDIAOCLPEVYONBS-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.63
Rot. Bonds6

About 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103073100) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103073100
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N2CCC(OC)CC2)cc1=O
InChIInChI=1S/C15H24N4O2/c1-12(9-16-2)11-19-15(20)8-13(10-17-19)18-6-4-14(21-3)5-7-18/h8,10,14,16H,1,4-7,9,11H2,2-3H3
InChIKeyDIAOCLPEVYONBS-UHFFFAOYSA-N
XLogP0.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]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

1-(1-Methyl-6-oxo-16-dihydropyridazin-4-YL)-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 53202084
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 53202153
1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)-N-[3-(propan-2-yloxy)propyl]piperidine-3-carboxamide
CID 53203891
N-(3-methoxypropyl)-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203912
N-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-3-methoxypropanamide
CID 91911839
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3-methoxypropanamide
CID 91924054
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924062
N-[1-(1-ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]-2,2-dimethylpropanamide
CID 91924064
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylpropanamide
CID 91924078
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2,2-dimethylpropanamide
CID 91924089
2-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]propanamide
CID 110876544
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]propanamide
CID 110876546

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (CID 103073100) is 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is C=C(CNC)Cn1ncc(N2CCC(OC)CC2)cc1=O.
What is the InChIKey of 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is DIAOCLPEVYONBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(9-16-2)11-19-15(20)8-13(10-17-19)18-6-4-14(21-3)5-7-18/h8,10,14,16H,1,4-7,9,11H2,2-3H3.
What are the key properties of 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypiperidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).