2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one

C14H22N4O — CID 103073063

IUPAC2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C14H22N4O/c1-12(9-15-2)11-18-14(19)8-13(10-16-18)17-6-4-3-5-7-17/h8,10,15H,1,3-7,9,11H2,2H3
InChIKeyYNPGFCIGULRGJX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.01
Rot. Bonds5

About 2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one

2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 103073063) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID103073063
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C14H22N4O/c1-12(9-15-2)11-18-14(19)8-13(10-16-18)17-6-4-3-5-7-17/h8,10,15H,1,3-7,9,11H2,2H3
InChIKeyYNPGFCIGULRGJX-UHFFFAOYSA-N
XLogP1.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202012
N-(2-methylpropyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202052
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202143
1-(6-oxo-1-propylpyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202148
N-methyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202150
N-(2-Methylpropyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202197
N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202213
1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N-propylpiperidine-3-carboxamide
CID 53203874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one (CID 103073063) is 2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one is C=C(CNC)Cn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is YNPGFCIGULRGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12(9-15-2)11-18-14(19)8-13(10-16-18)17-6-4-3-5-7-17/h8,10,15H,1,3-7,9,11H2,2H3.
What are the key properties of 2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 262.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)prop-2-enyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 103073063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).