5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one

C15H23N3O2 — CID 114396318

IUPAC5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one
SMILESCCC(=O)C(C)n1ncc(N2CCCC(C)C2)cc1=O
InChIInChI=1S/C15H23N3O2/c1-4-14(19)12(3)18-15(20)8-13(9-16-18)17-7-5-6-11(2)10-17/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyRKGCGIWAPRIQST-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.02
Rot. Bonds4

About 5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one

5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one (PubChem CID 114396318) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one
PubChem CID114396318
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one
SMILESCCC(=O)C(C)n1ncc(N2CCCC(C)C2)cc1=O
InChIInChI=1S/C15H23N3O2/c1-4-14(19)12(3)18-15(20)8-13(9-16-18)17-7-5-6-11(2)10-17/h8-9,11-12H,4-7,10H2,1-3H3
InChIKeyRKGCGIWAPRIQST-UHFFFAOYSA-N
XLogP2.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114396727
2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 104920926
2-(2-hydroxypentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114397165
3-hydroxy-4-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]butanoic acid
CID 114394160
2-amino-3-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394158
5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 114396319
2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114395377
2-(5-bromo-3-methylpentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114394465
2-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetonitrile
CID 114395748
ethyl 2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate
CID 45199094
ethyl (2S)-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)pentanoate
CID 30956732
5-(3-methylpiperidin-1-yl)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
CID 103074106

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one?
The IUPAC name of 5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one (CID 114396318) is 5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one is CCC(=O)C(C)n1ncc(N2CCCC(C)C2)cc1=O.
What is the InChIKey of 5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one?
The InChIKey is RKGCGIWAPRIQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-14(19)12(3)18-15(20)8-13(9-16-18)17-7-5-6-11(2)10-17/h8-9,11-12H,4-7,10H2,1-3H3.
What are the key properties of 5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one?
5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-1-yl)-2-(3-oxopentan-2-yl)pyridazin-3-one is sourced from PubChem (CID 114396318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).