2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one

C20H18FN3O2S — CID 53041199

IUPAC2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one
SMILESO=C(c1ccccc1F)N1CCC(n2nc(-c3ccsc3)ccc2=O)CC1
InChIInChI=1S/C20H18FN3O2S/c21-17-4-2-1-3-16(17)20(26)23-10-7-15(8-11-23)24-19(25)6-5-18(22-24)14-9-12-27-13-14/h1-6,9,12-13,15H,7-8,10-11H2
InChIKeyBEHQLTXHDPQHDB-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.59
Rot. Bonds3

About 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one

2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one (PubChem CID 53041199) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one
PubChem CID53041199
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one
SMILESO=C(c1ccccc1F)N1CCC(n2nc(-c3ccsc3)ccc2=O)CC1
InChIInChI=1S/C20H18FN3O2S/c21-17-4-2-1-3-16(17)20(26)23-10-7-15(8-11-23)24-19(25)6-5-18(22-24)14-9-12-27-13-14/h1-6,9,12-13,15H,7-8,10-11H2
InChIKeyBEHQLTXHDPQHDB-UHFFFAOYSA-N
XLogP3.59
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one?
The IUPAC name of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one (CID 53041199) is 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one?
The canonical SMILES for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one is O=C(c1ccccc1F)N1CCC(n2nc(-c3ccsc3)ccc2=O)CC1.
What is the InChIKey of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one?
The InChIKey is BEHQLTXHDPQHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-17-4-2-1-3-16(17)20(26)23-10-7-15(8-11-23)24-19(25)6-5-18(22-24)14-9-12-27-13-14/h1-6,9,12-13,15H,7-8,10-11H2.
What are the key properties of 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one?
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one has a molecular weight of 383.45 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorobenzoyl)piperidin-4-yl]-6-thiophen-3-ylpyridazin-3-one is sourced from PubChem (CID 53041199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).