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

C18H21FN4O2S — CID 87017765

IUPAC2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1CCCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C18H21FN4O2S/c1-12(24)20-15-3-2-8-23(9-15)10-17(25)22-18-21-16(11-26-18)13-4-6-14(19)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyCYEBVJXEHBOZTM-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.49
Rot. Bonds5

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

2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 87017765) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID87017765
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)NC1CCCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1
InChIInChI=1S/C18H21FN4O2S/c1-12(24)20-15-3-2-8-23(9-15)10-17(25)22-18-21-16(11-26-18)13-4-6-14(19)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyCYEBVJXEHBOZTM-UHFFFAOYSA-N
XLogP2.49
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 24593653
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(2S)-2-methylmorpholin-4-yl]acetamide
CID 30254150
2-[3-(methylamino)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 62547767
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55626130
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 24594059
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-propanoylpiperidine-3-carboxamide
CID 60529706
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55437111
N-benzyl-1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 24594905
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2090365

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 87017765) is 2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)NC1CCCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C1.
What is the InChIKey of 2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CYEBVJXEHBOZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-12(24)20-15-3-2-8-23(9-15)10-17(25)22-18-21-16(11-26-18)13-4-6-14(19)7-5-13/h4-7,11,15H,2-3,8-10H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of 2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopiperidin-1-yl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87017765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).