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

C25H28FN3O2S — CID 58756762

IUPACN-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCc1csc(C2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C25H28FN3O2S/c26-22-8-6-20(7-9-22)16-31-17-24(30)27-14-23-18-32-25(28-23)21-10-12-29(13-11-21)15-19-4-2-1-3-5-19/h1-9,18,21H,10-17H2,(H,27,30)
InChIKeyFKIZHNKGTDMMAF-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.49
Rot. Bonds9

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

N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide (PubChem CID 58756762) has the molecular formula C25H28FN3O2S and a molecular weight of 453.58 g/mol. Its IUPAC name is N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide
PubChem CID58756762
Molecular FormulaC25H28FN3O2S
Molecular Weight453.58 g/mol
Exact Mass453.19
IUPAC NameN-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCc1csc(C2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C25H28FN3O2S/c26-22-8-6-20(7-9-22)16-31-17-24(30)27-14-23-18-32-25(28-23)21-10-12-29(13-11-21)15-19-4-2-1-3-5-19/h1-9,18,21H,10-17H2,(H,27,30)
InChIKeyFKIZHNKGTDMMAF-UHFFFAOYSA-N
XLogP4.49
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide (CID 58756762) is N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide is O=C(COCc1ccc(F)cc1)NCc1csc(C2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The InChIKey is FKIZHNKGTDMMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2S/c26-22-8-6-20(7-9-22)16-31-17-24(30)27-14-23-18-32-25(28-23)21-10-12-29(13-11-21)15-19-4-2-1-3-5-19/h1-9,18,21H,10-17H2,(H,27,30).
What are the key properties of N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide?
N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide has a molecular weight of 453.58 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 58756762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).