2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one

C18H21N3O2 — CID 51145418

IUPAC2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCC1CCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C18H21N3O2/c1-14-7-5-6-12-20(14)18(23)16-10-11-17(22)21(19-16)13-15-8-3-2-4-9-15/h2-4,8-11,14H,5-7,12-13H2,1H3
InChIKeyMOTBKPXEHSXSGD-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.31
Rot. Bonds3

About 2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one

2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one (PubChem CID 51145418) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
PubChem CID51145418
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
SMILESCC1CCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C18H21N3O2/c1-14-7-5-6-12-20(14)18(23)16-10-11-17(22)21(19-16)13-15-8-3-2-4-9-15/h2-4,8-11,14H,5-7,12-13H2,1H3
InChIKeyMOTBKPXEHSXSGD-UHFFFAOYSA-N
XLogP2.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
cis-(1S,3R)-3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676410
4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid
CID 154743508
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 24686254
2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721
2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one
CID 51925321
2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
CID 119403547
(1-benzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 44823411
3-[(2R)-1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124683832
2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 39712553

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one (CID 51145418) is 2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one is CC1CCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
The InChIKey is MOTBKPXEHSXSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-7-5-6-12-20(14)18(23)16-10-11-17(22)21(19-16)13-15-8-3-2-4-9-15/h2-4,8-11,14H,5-7,12-13H2,1H3.
What are the key properties of 2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one?
2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one has a molecular weight of 311.38 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 51145418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).