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

C16H26N4O — CID 86284456

IUPAC2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCN1CCCCC1Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C16H26N4O/c1-18-8-6-3-7-14(18)13-20-16(21)11-15(12-17-20)19-9-4-2-5-10-19/h11-12,14H,2-10,13H2,1H3
InChIKeyKUSNCYGJZBZIGC-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds3

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

2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 86284456) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID86284456
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCN1CCCCC1Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C16H26N4O/c1-18-8-6-3-7-14(18)13-20-16(21)11-15(12-17-20)19-9-4-2-5-10-19/h11-12,14H,2-10,13H2,1H3
InChIKeyKUSNCYGJZBZIGC-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one (CID 86284456) is 2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one is CN1CCCCC1Cn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is KUSNCYGJZBZIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-8-6-3-7-14(18)13-20-16(21)11-15(12-17-20)19-9-4-2-5-10-19/h11-12,14H,2-10,13H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one?
2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 290.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-2-yl)methyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 86284456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).