N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

C18H21F3N4O3 — CID 90542157

IUPACN-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1
InChIInChI=1S/C18H21F3N4O3/c1-2-27-14-5-3-13(4-6-14)22-15(26)11-25-9-7-12(8-10-25)16-23-24-17(28-16)18(19,20)21/h3-6,12H,2,7-11H2,1H3,(H,22,26)
InChIKeyIKLTZRRSHYGBJK-UHFFFAOYSA-N
MW398.39 g/mol
LogP3.31
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90542157) has the molecular formula C18H21F3N4O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90542157
Molecular FormulaC18H21F3N4O3
Molecular Weight398.39 g/mol
Exact Mass398.16
IUPAC NameN-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1
InChIInChI=1S/C18H21F3N4O3/c1-2-27-14-5-3-13(4-6-14)22-15(26)11-25-9-7-12(8-10-25)16-23-24-17(28-16)18(19,20)21/h3-6,12H,2,7-11H2,1H3,(H,22,26)
InChIKeyIKLTZRRSHYGBJK-UHFFFAOYSA-N
XLogP3.31
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 90542162
N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
CID 121116741
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-(propan-2-ylcarbamoyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 90542192
N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
CID 122268803
2-[3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-2,5-dimethylpyrrol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 53155334
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909487
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 121116748
2-[[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]methyl]prop-2-enoic acid
CID 166356607
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 19527047
N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 121116680

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90542157) is N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2CCC(c3nnc(C(F)(F)F)o3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is IKLTZRRSHYGBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O3/c1-2-27-14-5-3-13(4-6-14)22-15(26)11-25-9-7-12(8-10-25)16-23-24-17(28-16)18(19,20)21/h3-6,12H,2,7-11H2,1H3,(H,22,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 398.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90542157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).