2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

C24H26FN3OS — CID 56541333

IUPAC2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CN1CCC(Cc2ccc(F)cc2)CC1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C24H26FN3OS/c25-21-8-6-18(7-9-21)16-19-10-13-28(14-11-19)17-22(29)27-23(24-26-12-15-30-24)20-4-2-1-3-5-20/h1-9,12,15,19,23H,10-11,13-14,16-17H2,(H,27,29)
InChIKeyVYBXNTKQGQWXFJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.44
Rot. Bonds7

About 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide

2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 56541333) has the molecular formula C24H26FN3OS and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID56541333
Molecular FormulaC24H26FN3OS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
SMILESO=C(CN1CCC(Cc2ccc(F)cc2)CC1)NC(c1ccccc1)c1nccs1
InChIInChI=1S/C24H26FN3OS/c25-21-8-6-18(7-9-21)16-19-10-13-28(14-11-19)17-22(29)27-23(24-26-12-15-30-24)20-4-2-1-3-5-20/h1-9,12,15,19,23H,10-11,13-14,16-17H2,(H,27,29)
InChIKeyVYBXNTKQGQWXFJ-UHFFFAOYSA-N
XLogP4.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide (CID 56541333) is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is O=C(CN1CCC(Cc2ccc(F)cc2)CC1)NC(c1ccccc1)c1nccs1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is VYBXNTKQGQWXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3OS/c25-21-8-6-18(7-9-21)16-19-10-13-28(14-11-19)17-22(29)27-23(24-26-12-15-30-24)20-4-2-1-3-5-20/h1-9,12,15,19,23H,10-11,13-14,16-17H2,(H,27,29).
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide?
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56541333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).