2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione

C11H15N3O3 — CID 60634761

IUPAC2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCCC1
InChIInChI=1S/C11H15N3O3/c15-9-4-5-10(16)14(12-9)8-11(17)13-6-2-1-3-7-13/h4-5H,1-3,6-8H2,(H,12,15)
InChIKeySCVXERHJHVJOPS-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.45
Rot. Bonds2

About 2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione

2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione (PubChem CID 60634761) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione
PubChem CID60634761
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCCC1
InChIInChI=1S/C11H15N3O3/c15-9-4-5-10(16)14(12-9)8-11(17)13-6-2-1-3-7-13/h4-5H,1-3,6-8H2,(H,12,15)
InChIKeySCVXERHJHVJOPS-UHFFFAOYSA-N
XLogP-0.45
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612964
2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 71899333
3-[2-(azocan-1-yl)-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 51145503
(9aS)-2-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95120098
2-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63763083
3-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-phthalazine-1,4-dione
CID 16614267
2-[2-oxo-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethyl]-1H-pyridazine-3,6-dione
CID 95227998
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
CID 82902984
3-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyridin-2-one
CID 114760810
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
2-[2-(azepan-1-yl)-2-oxoethyl]-3,4-dihydroisoquinolin-1-one
CID 104501276

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione (CID 60634761) is 2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCCCC1.
What is the InChIKey of 2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione?
The InChIKey is SCVXERHJHVJOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9-4-5-10(16)14(12-9)8-11(17)13-6-2-1-3-7-13/h4-5H,1-3,6-8H2,(H,12,15).
What are the key properties of 2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione?
2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione has a molecular weight of 237.26 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 60634761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).