2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

C23H28F3N3O6S — CID 5014907

IUPAC2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CCC(c2nc(C(=O)Nc3cccc(OC(F)(F)F)c3)cs2)CC1
InChIInChI=1S/C23H28F3N3O6S/c1-32-9-10-33-11-12-34-14-20(30)29-7-5-16(6-8-29)22-28-19(15-36-22)21(31)27-17-3-2-4-18(13-17)35-23(24,25)26/h2-4,13,15-16H,5-12,14H2,1H3,(H,27,31)
InChIKeyQVRPFYOMVLJHTJ-UHFFFAOYSA-N
MW531.55 g/mol
LogP3.68
Rot. Bonds12

About 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 5014907) has the molecular formula C23H28F3N3O6S and a molecular weight of 531.55 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID5014907
Molecular FormulaC23H28F3N3O6S
Molecular Weight531.55 g/mol
Exact Mass531.17
IUPAC Name2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCOCCOCCOCC(=O)N1CCC(c2nc(C(=O)Nc3cccc(OC(F)(F)F)c3)cs2)CC1
InChIInChI=1S/C23H28F3N3O6S/c1-32-9-10-33-11-12-34-14-20(30)29-7-5-16(6-8-29)22-28-19(15-36-22)21(31)27-17-3-2-4-18(13-17)35-23(24,25)26/h2-4,13,15-16H,5-12,14H2,1H3,(H,27,31)
InChIKeyQVRPFYOMVLJHTJ-UHFFFAOYSA-N
XLogP3.68
TPSA99.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3667430
2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3689654
2-[1-[[4-(dimethylamino)phenyl]carbamothioyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3831170
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 3678848
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 3827852
2-[1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carbonyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3836472
2-[1-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 5018874
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3788057
ethyl 4-[[2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1-methylimidazole-2-carboxylate
CID 5244556
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 3685355
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]-N-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90742967
methyl 3-[[2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 3839268

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 5014907) is 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is COCCOCCOCC(=O)N1CCC(c2nc(C(=O)Nc3cccc(OC(F)(F)F)c3)cs2)CC1.
What is the InChIKey of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QVRPFYOMVLJHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O6S/c1-32-9-10-33-11-12-34-14-20(30)29-7-5-16(6-8-29)22-28-19(15-36-22)21(31)27-17-3-2-4-18(13-17)35-23(24,25)26/h2-4,13,15-16H,5-12,14H2,1H3,(H,27,31).
What are the key properties of 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 531.55 g/mol, XLogP of 3.68, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 5014907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).