5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one

C16H26N4O — CID 114395972

IUPAC5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one
SMILESCC1CCCN(c2cnn(CC3CCCNC3)c(=O)c2)C1
InChIInChI=1S/C16H26N4O/c1-13-4-3-7-19(11-13)15-8-16(21)20(18-10-15)12-14-5-2-6-17-9-14/h8,10,13-14,17H,2-7,9,11-12H2,1H3
InChIKeyHXSBJKPCAWPHPY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.48
Rot. Bonds3

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

5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one (PubChem CID 114395972) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one
PubChem CID114395972
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one
SMILESCC1CCCN(c2cnn(CC3CCCNC3)c(=O)c2)C1
InChIInChI=1S/C16H26N4O/c1-13-4-3-7-19(11-13)15-8-16(21)20(18-10-15)12-14-5-2-6-17-9-14/h8,10,13-14,17H,2-7,9,11-12H2,1H3
InChIKeyHXSBJKPCAWPHPY-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
CID 154899944
5-(4-methoxypiperidin-1-yl)-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one
CID 114395969
5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 114396319
2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
CID 72874397
2-[4-(3-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetonitrile
CID 114395748
2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97194937
2-[(2S)-2-aminopropyl]-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 104920926
2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114396727
2-(5-bromo-3-methylpentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114394465
5-(3-methylpiperidin-1-yl)-2-[2-(sulfanylmethyl)prop-2-enyl]pyridazin-3-one
CID 103074106
2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114395377
2-(2-hydroxypentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114397165

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one (CID 114395972) is 5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one is CC1CCCN(c2cnn(CC3CCCNC3)c(=O)c2)C1.
What is the InChIKey of 5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one?
The InChIKey is HXSBJKPCAWPHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-4-3-7-19(11-13)15-8-16(21)20(18-10-15)12-14-5-2-6-17-9-14/h8,10,13-14,17H,2-7,9,11-12H2,1H3.
What are the key properties of 5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one?
5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one has a molecular weight of 290.41 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 114395972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).