3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one

C13H19N3O2 — CID 113229540

IUPAC3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCC1(C)CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-13(2)6-8-16(9-7-13)12(18)10-4-5-11(17)15-14-10/h4-5H,3,6-9H2,1-2H3,(H,15,17)
InChIKeyBVGCJDYUEGTKRD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.42
Rot. Bonds2

About 3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one

3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 113229540) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID113229540
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCC1(C)CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H19N3O2/c1-3-13(2)6-8-16(9-7-13)12(18)10-4-5-11(17)15-14-10/h4-5H,3,6-9H2,1-2H3,(H,15,17)
InChIKeyBVGCJDYUEGTKRD-UHFFFAOYSA-N
XLogP1.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 103720325
3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110800607
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propylpiperazine-1-carboxamide
CID 110812162
3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110804798
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163
(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 63161790
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 114267658
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one (CID 113229540) is 3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one is CCC1(C)CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is BVGCJDYUEGTKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-13(2)6-8-16(9-7-13)12(18)10-4-5-11(17)15-14-10/h4-5H,3,6-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one?
3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 249.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-4-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 113229540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).