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

C25H26FN3O3S — CID 112804141

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)cc1
InChIInChI=1S/C25H26FN3O3S/c1-2-32-22-8-6-17(7-9-22)25(31)29-12-10-20(11-13-29)27-23(30)15-21-16-33-24(28-21)18-4-3-5-19(26)14-18/h3-9,14,16,20H,2,10-13,15H2,1H3,(H,27,30)
InChIKeyPSJZJAGBXIHWHV-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.31
Rot. Bonds7

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

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 112804141) has the molecular formula C25H26FN3O3S and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID112804141
Molecular FormulaC25H26FN3O3S
Molecular Weight467.57 g/mol
Exact Mass467.17
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)cc1
InChIInChI=1S/C25H26FN3O3S/c1-2-32-22-8-6-17(7-9-22)25(31)29-12-10-20(11-13-29)27-23(30)15-21-16-33-24(28-21)18-4-3-5-19(26)14-18/h3-9,14,16,20H,2,10-13,15H2,1H3,(H,27,30)
InChIKeyPSJZJAGBXIHWHV-UHFFFAOYSA-N
XLogP4.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000
N-cyclohexyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 17435272
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 112804151
N-(4-aminocyclohexyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119474502
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 16563687
4-ethoxy-N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]benzohydrazide
CID 27620637
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119562815
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 51874973
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 119455230
cis-(1S,3R)-3-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675846
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 112804142
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide (CID 112804141) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccc(C(=O)N2CCC(NC(=O)Cc3csc(-c4cccc(F)c4)n3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is PSJZJAGBXIHWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3S/c1-2-32-22-8-6-17(7-9-22)25(31)29-12-10-20(11-13-29)27-23(30)15-21-16-33-24(28-21)18-4-3-5-19(26)14-18/h3-9,14,16,20H,2,10-13,15H2,1H3,(H,27,30).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 467.57 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 112804141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).