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

C16H26N4O — CID 97194937

IUPAC2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCN1CCC[C@H](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/t14-/m0/s1
InChIKeyLBYSVVVPLIVWIB-AWEZNQCLSA-N
MW290.41 g/mol
LogP1.58
Rot. Bonds3

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

2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 97194937) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID97194937
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCN1CCC[C@H](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/t14-/m0/s1
InChIKeyLBYSVVVPLIVWIB-AWEZNQCLSA-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

Analyze 2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one (CID 97194937) is 2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one is CN1CCC[C@H](Cn2ncc(N3CCCCC3)cc2=O)C1.
What is the InChIKey of 2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is LBYSVVVPLIVWIB-AWEZNQCLSA-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/t14-/m0/s1.
What are the key properties of 2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one?
2-[[(3S)-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-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 97194937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).