3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one

C11H13N3O3 — CID 102979094

IUPAC3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1CN(C(=O)c2ccc(=O)[nH]n2)CCC1=O
InChIInChI=1S/C11H13N3O3/c1-7-6-14(5-4-9(7)15)11(17)8-2-3-10(16)13-12-8/h2-3,7H,4-6H2,1H3,(H,13,16)
InChIKeyWXVCFFLTCYIOBS-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.18
Rot. Bonds1

About 3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one

3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 102979094) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID102979094
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCC1CN(C(=O)c2ccc(=O)[nH]n2)CCC1=O
InChIInChI=1S/C11H13N3O3/c1-7-6-14(5-4-9(7)15)11(17)8-2-3-10(16)13-12-8/h2-3,7H,4-6H2,1H3,(H,13,16)
InChIKeyWXVCFFLTCYIOBS-UHFFFAOYSA-N
XLogP-0.18
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
3-(3,4-dimethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 103709631
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-4-one
CID 114499805
methyl 1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate
CID 78919715
3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 3796874
(5aS,9aR)-1-methyl-7-(6-oxo-1H-pyridazine-3-carbonyl)-3,4,5,5a,6,8,9,9a-octahydropyrido[4,3-b]azepin-2-one
CID 110143133
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 81208326
3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl)-1H-pyridazin-6-one
CID 81097855
3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95845426
(3R)-4-benzyl-3-ethyl-1-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepan-5-one
CID 95559121

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one (CID 102979094) is 3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one is CC1CN(C(=O)c2ccc(=O)[nH]n2)CCC1=O.
What is the InChIKey of 3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is WXVCFFLTCYIOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-6-14(5-4-9(7)15)11(17)8-2-3-10(16)13-12-8/h2-3,7H,4-6H2,1H3,(H,13,16).
What are the key properties of 3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one?
3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 235.24 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-oxopiperidine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 102979094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).