2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one

C14H24N4O2 — CID 114397548

IUPAC2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCOCCNCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C14H24N4O2/c1-20-10-6-15-5-9-18-14(19)11-13(12-16-18)17-7-3-2-4-8-17/h11-12,15H,2-10H2,1H3
InChIKeyPEYUUKQWTOGATN-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.47
Rot. Bonds7

About 2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one

2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114397548) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID114397548
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCOCCNCCn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C14H24N4O2/c1-20-10-6-15-5-9-18-14(19)11-13(12-16-18)17-7-3-2-4-8-17/h11-12,15H,2-10H2,1H3
InChIKeyPEYUUKQWTOGATN-UHFFFAOYSA-N
XLogP0.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 107506432
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517
2-[2-(2-methylbutan-2-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397416
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397411
2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506
methyl 2-hydroxy-2-methyl-3-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)propanoate
CID 114393825
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114396804

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one (CID 114397548) is 2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one is COCCNCCn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is PEYUUKQWTOGATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-20-10-6-15-5-9-18-14(19)11-13(12-16-18)17-7-3-2-4-8-17/h11-12,15H,2-10H2,1H3.
What are the key properties of 2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 280.37 g/mol, XLogP of 0.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114397548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).