3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one

C18H23N3O — CID 97436737

IUPAC3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc([C@@H](C)N3CCCCC3)cc2)c(=O)[nH]n1
InChIInChI=1S/C18H23N3O/c1-13-12-17(18(22)20-19-13)16-8-6-15(7-9-16)14(2)21-10-4-3-5-11-21/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyUBUYMQKEJJDGLK-CQSZACIVSA-N
MW297.40 g/mol
LogP3.29
Rot. Bonds3

About 3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one

3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one (PubChem CID 97436737) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one
PubChem CID97436737
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc([C@@H](C)N3CCCCC3)cc2)c(=O)[nH]n1
InChIInChI=1S/C18H23N3O/c1-13-12-17(18(22)20-19-13)16-8-6-15(7-9-16)14(2)21-10-4-3-5-11-21/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyUBUYMQKEJJDGLK-CQSZACIVSA-N
XLogP3.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(4-methylphenyl)-1H-pyridazin-6-one
CID 173296566
4-methyl-2-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]phenyl]-1H-pyrimidin-6-one
CID 137167982
2-methyl-3-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
CID 126449078
4-[4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1H-pyrazol-5-yl]pyridine
CID 126428744
1,3-dimethyl-4-[4-(1-piperidin-1-ylethyl)phenyl]pyrazole-5-carboxylic acid
CID 122568378
1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
CID 72914284
5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
CID 122558610
[5-fluoro-4-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-2-pyridinyl]methanol
CID 126432860
5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
CID 77093885
3-[4-(1-pyrrolidin-1-ylethyl)phenyl]-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 72902250
4-[(1S)-1-piperidin-1-ylethyl]pyridine
CID 11286966
6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122559884

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one (CID 97436737) is 3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one is Cc1cc(-c2ccc([C@@H](C)N3CCCCC3)cc2)c(=O)[nH]n1.
What is the InChIKey of 3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one?
The InChIKey is UBUYMQKEJJDGLK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-12-17(18(22)20-19-13)16-8-6-15(7-9-16)14(2)21-10-4-3-5-11-21/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of 3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one?
3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one has a molecular weight of 297.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[(1R)-1-piperidin-1-ylethyl]phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 97436737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).