2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one

C13H19N3O2 — CID 93478358

IUPAC2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCC[C@@H]1CCCCN1C(=O)Cn1ncccc1=O
InChIInChI=1S/C13H19N3O2/c1-2-11-6-3-4-9-15(11)13(18)10-16-12(17)7-5-8-14-16/h5,7-8,11H,2-4,6,9-10H2,1H3/t11-/m1/s1
InChIKeyZECJCKCJMMOPDP-LLVKDONJSA-N
MW249.31 g/mol
LogP1.03
Rot. Bonds3

About 2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one

2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 93478358) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID93478358
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCC[C@@H]1CCCCN1C(=O)Cn1ncccc1=O
InChIInChI=1S/C13H19N3O2/c1-2-11-6-3-4-9-15(11)13(18)10-16-12(17)7-5-8-14-16/h5,7-8,11H,2-4,6,9-10H2,1H3/t11-/m1/s1
InChIKeyZECJCKCJMMOPDP-LLVKDONJSA-N
XLogP1.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(6-oxopyridazin-1(6H)-yl)propanamide
CID 45497096
2-(2-oxo-2-(2-(trifluoromethyl)piperidin-1-yl)ethyl)pyridazin-3(2H)-one
CID 92092513
6-methyl-2-(2-(2-methylpiperidin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 49704438
2-(2-oxo-2-(piperidin-1-yl)ethyl)pyridazin-3(2H)-one
CID 45548745
2-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 45548890
2-(1-Propan-2-ylpiperidin-4-yl)pyridazin-3-one
CID 142781731
2-Hexan-2-ylpyridazin-3-one
CID 165135892
N-cyclohexyl-2-(6-oxopyridazin-1(6H)-yl)acetamide
CID 45548739
N-cyclohexyl-N-methyl-2-(6-oxopyridazin-1(6H)-yl)acetamide
CID 45548742
2-(2-(2-methylpiperidin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 45548746
2-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 45548747
2-(2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 45548748

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 93478358) is 2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one is CC[C@@H]1CCCCN1C(=O)Cn1ncccc1=O.
What is the InChIKey of 2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is ZECJCKCJMMOPDP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-11-6-3-4-9-15(11)13(18)10-16-12(17)7-5-8-14-16/h5,7-8,11H,2-4,6,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 93478358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).