6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one

C18H23N3O — CID 82105302

IUPAC6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC3CCNCC3)n2)cc1C
InChIInChI=1S/C18H23N3O/c1-13-3-4-16(11-14(13)2)17-5-6-18(22)21(20-17)12-15-7-9-19-10-8-15/h3-6,11,15,19H,7-10,12H2,1-2H3
InChIKeyQDDLZDGJZPZUQQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.53
Rot. Bonds3

About 6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one

6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one (PubChem CID 82105302) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one
PubChem CID82105302
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC3CCNCC3)n2)cc1C
InChIInChI=1S/C18H23N3O/c1-13-3-4-16(11-14(13)2)17-5-6-18(22)21(20-17)12-15-7-9-19-10-8-15/h3-6,11,15,19H,7-10,12H2,1-2H3
InChIKeyQDDLZDGJZPZUQQ-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 66510167
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 139027566
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873
2-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
CID 16669834
ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7666096
2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334
6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 139023445
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863543
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70684578

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one (CID 82105302) is 6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC3CCNCC3)n2)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one?
The InChIKey is QDDLZDGJZPZUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-3-4-16(11-14(13)2)17-5-6-18(22)21(20-17)12-15-7-9-19-10-8-15/h3-6,11,15,19H,7-10,12H2,1-2H3.
What are the key properties of 6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one?
6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one has a molecular weight of 297.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-2-(piperidin-4-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 82105302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).