2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one

C24H30FN3O3 — CID 95807602

IUPAC2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(C3CCN(C(=O)CC4CCCCC4)CC3)n2)cc1F
InChIInChI=1S/C24H30FN3O3/c1-31-22-9-7-18(16-20(22)25)21-8-10-23(29)28(26-21)19-11-13-27(14-12-19)24(30)15-17-5-3-2-4-6-17/h7-10,16-17,19H,2-6,11-15H2,1H3
InChIKeyUMYYSRDZWFXHND-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.19
Rot. Bonds5

About 2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one

2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one (PubChem CID 95807602) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one
PubChem CID95807602
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(C3CCN(C(=O)CC4CCCCC4)CC3)n2)cc1F
InChIInChI=1S/C24H30FN3O3/c1-31-22-9-7-18(16-20(22)25)21-8-10-23(29)28(26-21)19-11-13-27(14-12-19)24(30)15-17-5-3-2-4-6-17/h7-10,16-17,19H,2-6,11-15H2,1H3
InChIKeyUMYYSRDZWFXHND-UHFFFAOYSA-N
XLogP4.19
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one (CID 95807602) is 2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(C3CCN(C(=O)CC4CCCCC4)CC3)n2)cc1F.
What is the InChIKey of 2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one?
The InChIKey is UMYYSRDZWFXHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-31-22-9-7-18(16-20(22)25)21-8-10-23(29)28(26-21)19-11-13-27(14-12-19)24(30)15-17-5-3-2-4-6-17/h7-10,16-17,19H,2-6,11-15H2,1H3.
What are the key properties of 2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one?
2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one has a molecular weight of 427.52 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 95807602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).