6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one

C13H19N3O3 — CID 43393846

IUPAC6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCC(O)C2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-2-7-16-12(18)6-5-11(14-16)13(19)15-8-3-4-10(17)9-15/h5-6,10,17H,2-4,7-9H2,1H3
InChIKeyIIBZRRLIMFBMOV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.25
Rot. Bonds3

About 6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one

6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one (PubChem CID 43393846) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one
PubChem CID43393846
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCCC(O)C2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-2-7-16-12(18)6-5-11(14-16)13(19)15-8-3-4-10(17)9-15/h5-6,10,17H,2-4,7-9H2,1H3
InChIKeyIIBZRRLIMFBMOV-UHFFFAOYSA-N
XLogP0.25
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one (CID 43393846) is 6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCCC(O)C2)ccc1=O.
What is the InChIKey of 6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one?
The InChIKey is IIBZRRLIMFBMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-7-16-12(18)6-5-11(14-16)13(19)15-8-3-4-10(17)9-15/h5-6,10,17H,2-4,7-9H2,1H3.
What are the key properties of 6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one?
6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one has a molecular weight of 265.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypiperidine-1-carbonyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 43393846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).