2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one

C16H26N4O — CID 72874397

IUPAC2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCN1CCCC(Cn2ncc(N3CCCCC3)cc2=O)C1
InChIInChI=1S/C16H26N4O/c1-18-7-5-6-14(12-18)13-20-16(21)10-15(11-17-20)19-8-3-2-4-9-19/h10-11,14H,2-9,12-13H2,1H3
InChIKeyLBYSVVVPLIVWIB-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.58
Rot. Bonds3

About 2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one

2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 72874397) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID72874397
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCN1CCCC(Cn2ncc(N3CCCCC3)cc2=O)C1
InChIInChI=1S/C16H26N4O/c1-18-7-5-6-14(12-18)13-20-16(21)10-15(11-17-20)19-8-3-2-4-9-19/h10-11,14H,2-9,12-13H2,1H3
InChIKeyLBYSVVVPLIVWIB-UHFFFAOYSA-N
XLogP1.58
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97194937
2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
CID 91917556
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
CID 154899944
5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one
CID 114395972
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863
2-(3-oxobutyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396028
2-(5-hydroxyhexyl)-5-piperidin-1-ylpyridazin-3-one
CID 114397088
2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394713
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetaldehyde
CID 114396121
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396424
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-[3-(methylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394517

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one (CID 72874397) is 2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one is CN1CCCC(Cn2ncc(N3CCCCC3)cc2=O)C1.
What is the InChIKey of 2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is LBYSVVVPLIVWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-7-5-6-14(12-18)13-20-16(21)10-15(11-17-20)19-8-3-2-4-9-19/h10-11,14H,2-9,12-13H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 290.41 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 72874397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).