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

C14H22N4O2 — CID 103073099

IUPAC2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N2CCC(OC)CC2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-11(8-15)10-18-14(19)7-12(9-16-18)17-5-3-13(20-2)4-6-17/h7,9,13H,1,3-6,8,10,15H2,2H3
InChIKeyMSBOPMKSSFHEQL-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.37
Rot. Bonds5

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

2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (PubChem CID 103073099) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
PubChem CID103073099
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N2CCC(OC)CC2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-11(8-15)10-18-14(19)7-12(9-16-18)17-5-3-13(20-2)4-6-17/h7,9,13H,1,3-6,8,10,15H2,2H3
InChIKeyMSBOPMKSSFHEQL-UHFFFAOYSA-N
XLogP0.37
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3-methoxypropanamide
CID 91924054
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
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-methylpropanamide
CID 110876550
N~1~-[1-(1-Ethyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidyl]propanamide
CID 110876551
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56910473
2-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56917408
5-(2-{2-[(1-acetyl-4-piperidinyl)amino]ethyl}-4-morpholinyl)-2-methyl-3(2H)-pyridazinone
CID 70787066

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (CID 103073099) is 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is C=C(CN)Cn1ncc(N2CCC(OC)CC2)cc1=O.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The InChIKey is MSBOPMKSSFHEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(8-15)10-18-14(19)7-12(9-16-18)17-5-3-13(20-2)4-6-17/h7,9,13H,1,3-6,8,10,15H2,2H3.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 103073099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).