4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one

C19H25N3O2 — CID 59651911

IUPAC4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one
SMILESC[C@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCCCC1
InChIInChI=1S/C19H25N3O2/c1-15(13-22-9-3-2-4-10-22)14-24-18-7-5-16(6-8-18)17-11-19(23)21-20-12-17/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyVLVKQHNHQGVMFA-HNNXBMFYSA-N
MW327.43 g/mol
LogP2.94
Rot. Bonds6

About 4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one

4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one (PubChem CID 59651911) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one
PubChem CID59651911
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one
SMILESC[C@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCCCC1
InChIInChI=1S/C19H25N3O2/c1-15(13-22-9-3-2-4-10-22)14-24-18-7-5-16(6-8-18)17-11-19(23)21-20-12-17/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyVLVKQHNHQGVMFA-HNNXBMFYSA-N
XLogP2.94
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one (CID 59651911) is 4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one is C[C@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCCCC1.
What is the InChIKey of 4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one?
The InChIKey is VLVKQHNHQGVMFA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(13-22-9-3-2-4-10-22)14-24-18-7-5-16(6-8-18)17-11-19(23)21-20-12-17/h5-8,11-12,15H,2-4,9-10,13-14H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one?
4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one has a molecular weight of 327.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S)-2-methyl-3-piperidin-1-ylpropoxy]phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 59651911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).