6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one

C11H15N3O3 — CID 43391811

IUPAC6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(O)CC2)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-13-10(16)3-2-9(12-13)11(17)14-6-4-8(15)5-7-14/h2-3,8,15H,4-7H2,1H3
InChIKeyBXJYZTXFHWZIHQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.62
Rot. Bonds1

About 6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one

6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one (PubChem CID 43391811) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
PubChem CID43391811
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(O)CC2)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-13-10(16)3-2-9(12-13)11(17)14-6-4-8(15)5-7-14/h2-3,8,15H,4-7H2,1H3
InChIKeyBXJYZTXFHWZIHQ-UHFFFAOYSA-N
XLogP-0.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one (CID 43391811) is 6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCC(O)CC2)ccc1=O.
What is the InChIKey of 6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is BXJYZTXFHWZIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-10(16)3-2-9(12-13)11(17)14-6-4-8(15)5-7-14/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one?
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 43391811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).