2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C22H22FN3OS — CID 110308190

IUPAC2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(C(Cc1ccccn1)c1ccc(F)cc1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C22H22FN3OS/c23-18-6-4-16(5-7-18)20(15-19-3-1-2-10-24-19)22(27)26-12-8-17(9-13-26)21-25-11-14-28-21/h1-7,10-11,14,17,20H,8-9,12-13,15H2
InChIKeyGATFVYGKTRHBOR-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110308190) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110308190
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC Name2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(C(Cc1ccccn1)c1ccc(F)cc1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C22H22FN3OS/c23-18-6-4-16(5-7-18)20(15-19-3-1-2-10-24-19)22(27)26-12-8-17(9-13-26)21-25-11-14-28-21/h1-7,10-11,14,17,20H,8-9,12-13,15H2
InChIKeyGATFVYGKTRHBOR-UHFFFAOYSA-N
XLogP4.41
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 110308190) is 2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is O=C(C(Cc1ccccn1)c1ccc(F)cc1)N1CCC(c2nccs2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GATFVYGKTRHBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-18-6-4-16(5-7-18)20(15-19-3-1-2-10-24-19)22(27)26-12-8-17(9-13-26)21-25-11-14-28-21/h1-7,10-11,14,17,20H,8-9,12-13,15H2.
What are the key properties of 2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 395.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110308190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).