2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one

C14H24N4O3 — CID 103482438

IUPAC2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(CCOCCN)c(=O)c2)CC1
InChIInChI=1S/C14H24N4O3/c1-20-13-2-5-17(6-3-13)12-10-14(19)18(16-11-12)7-9-21-8-4-15/h10-11,13H,2-9,15H2,1H3
InChIKeyABSKNDCCOMGELZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.17
Rot. Bonds7

About 2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one

2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (PubChem CID 103482438) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
PubChem CID103482438
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(CCOCCN)c(=O)c2)CC1
InChIInChI=1S/C14H24N4O3/c1-20-13-2-5-17(6-3-13)12-10-14(19)18(16-11-12)7-9-21-8-4-15/h10-11,13H,2-9,15H2,1H3
InChIKeyABSKNDCCOMGELZ-UHFFFAOYSA-N
XLogP-0.17
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-4-piperidinecarboxamide
CID 56891455
2-hydroxy-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}acetamide
CID 56898251
N-(tert-butyl)-N'-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}urea
CID 70717227
2-methoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}butanamide
CID 70726045
Propyl {2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}carbamate
CID 70730611
N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-1-piperidinecarboxamide
CID 70756598
2-[2-[2-(Aminomethyl)morpholin-4-yl]-2-oxoethyl]-5-piperidin-1-ylpyridazin-3-one
CID 72893567
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
N-(2-methoxyethyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-yl)piperidine-4-carboxamide
CID 53202193
1-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}cyclopropanecarboxamide
CID 56885150
2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (CID 103482438) is 2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is COC1CCN(c2cnn(CCOCCN)c(=O)c2)CC1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The InChIKey is ABSKNDCCOMGELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-20-13-2-5-17(6-3-13)12-10-14(19)18(16-11-12)7-9-21-8-4-15/h10-11,13H,2-9,15H2,1H3.
What are the key properties of 2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one has a molecular weight of 296.37 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 103482438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).