1-(pyridazine-4-carbonyl)piperidin-3-one

C10H11N3O2 — CID 104670556

IUPAC1-(pyridazine-4-carbonyl)piperidin-3-one
SMILESO=C1CCCN(C(=O)c2ccnnc2)C1
InChIInChI=1S/C10H11N3O2/c14-9-2-1-5-13(7-9)10(15)8-3-4-11-12-6-8/h3-4,6H,1-2,5,7H2
InChIKeyNKOWHRJZTUWGQB-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.28
Rot. Bonds1

About 1-(pyridazine-4-carbonyl)piperidin-3-one

1-(pyridazine-4-carbonyl)piperidin-3-one (PubChem CID 104670556) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(pyridazine-4-carbonyl)piperidin-3-one.

Molecular Properties

Compound Name1-(pyridazine-4-carbonyl)piperidin-3-one
PubChem CID104670556
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-(pyridazine-4-carbonyl)piperidin-3-one
SMILESO=C1CCCN(C(=O)c2ccnnc2)C1
InChIInChI=1S/C10H11N3O2/c14-9-2-1-5-13(7-9)10(15)8-3-4-11-12-6-8/h3-4,6H,1-2,5,7H2
InChIKeyNKOWHRJZTUWGQB-UHFFFAOYSA-N
XLogP0.28
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyridine-4-carbonyl)piperidin-3-one
CID 106753061
1-(4-aminobenzoyl)azepan-3-one
CID 91274921
1-(1-methylpyrazole-3-carbonyl)piperidin-3-one
CID 103118157
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone
CID 114522694
1-(4-propylbenzoyl)piperidin-3-one
CID 115277047
1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
CID 107676237
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
1-(5-bromothiophene-3-carbonyl)piperidin-3-one
CID 107961918
1-(2-chlorofuran-3-carbonyl)piperidin-3-one
CID 106685034
9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450518

Frequently Asked Questions

What is the IUPAC name of 1-(pyridazine-4-carbonyl)piperidin-3-one?
The IUPAC name of 1-(pyridazine-4-carbonyl)piperidin-3-one (CID 104670556) is 1-(pyridazine-4-carbonyl)piperidin-3-one.
What is the SMILES notation for 1-(pyridazine-4-carbonyl)piperidin-3-one?
The canonical SMILES for 1-(pyridazine-4-carbonyl)piperidin-3-one is O=C1CCCN(C(=O)c2ccnnc2)C1.
What is the InChIKey of 1-(pyridazine-4-carbonyl)piperidin-3-one?
The InChIKey is NKOWHRJZTUWGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-9-2-1-5-13(7-9)10(15)8-3-4-11-12-6-8/h3-4,6H,1-2,5,7H2.
What are the key properties of 1-(pyridazine-4-carbonyl)piperidin-3-one?
1-(pyridazine-4-carbonyl)piperidin-3-one has a molecular weight of 205.22 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridazine-4-carbonyl)piperidin-3-one is sourced from PubChem (CID 104670556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).