6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one

C11H17N3O3 — CID 43416074

IUPAC6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCC(O)CC2)CCC1=O
InChIInChI=1S/C11H17N3O3/c1-13-10(16)3-2-9(12-13)11(17)14-6-4-8(15)5-7-14/h8,15H,2-7H2,1H3
InChIKeyQLNPSFJVZIODMD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.42
Rot. Bonds1

About 6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one

6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 43416074) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID43416074
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCC(O)CC2)CCC1=O
InChIInChI=1S/C11H17N3O3/c1-13-10(16)3-2-9(12-13)11(17)14-6-4-8(15)5-7-14/h8,15H,2-7H2,1H3
InChIKeyQLNPSFJVZIODMD-UHFFFAOYSA-N
XLogP-0.42
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one (CID 43416074) is 6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCC(O)CC2)CCC1=O.
What is the InChIKey of 6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is QLNPSFJVZIODMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-10(16)3-2-9(12-13)11(17)14-6-4-8(15)5-7-14/h8,15H,2-7H2,1H3.
What are the key properties of 6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one?
6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 239.27 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypiperidine-1-carbonyl)-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 43416074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).