3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one

C12H17N3O2 — CID 5227998

IUPAC3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1CC(C)CN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H17N3O2/c1-8-5-9(2)7-15(6-8)12(17)10-3-4-11(16)14-13-10/h3-4,8-9H,5-7H2,1-2H3,(H,14,16)
InChIKeyZZORWWHLOVFTGU-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.89
Rot. Bonds1

About 3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one

3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 5227998) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID5227998
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1CC(C)CN(C(=O)c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C12H17N3O2/c1-8-5-9(2)7-15(6-8)12(17)10-3-4-11(16)14-13-10/h3-4,8-9H,5-7H2,1-2H3,(H,14,16)
InChIKeyZZORWWHLOVFTGU-UHFFFAOYSA-N
XLogP0.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 103709631
3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 102979094
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
3-[(2R,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridazin-6-one
CID 94823289
3-[(5aS,8aS)-4-methyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine-7-carbonyl]-1H-pyridazin-6-one
CID 131691221
3-(4-propylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 103720325
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163
methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate
CID 78919715
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 114267658
3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 3796874

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one (CID 5227998) is 3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one is CC1CC(C)CN(C(=O)c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is ZZORWWHLOVFTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-5-9(2)7-15(6-8)12(17)10-3-4-11(16)14-13-10/h3-4,8-9H,5-7H2,1-2H3,(H,14,16).
What are the key properties of 3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 5227998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).