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

C19H24F3N5O3 — CID 122268803

IUPACN-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1
InChIInChI=1S/C19H24F3N5O3/c1-3-30-15-6-4-13(5-7-15)23-16(28)12-26-10-8-14(9-11-26)27-18(29)25(2)17(24-27)19(20,21)22/h4-7,14H,3,8-12H2,1-2H3,(H,23,28)
InChIKeyDFNLRYUSCZWBRE-UHFFFAOYSA-N
MW427.43 g/mol
LogP2.27
Rot. Bonds6

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

N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 122268803) has the molecular formula C19H24F3N5O3 and a molecular weight of 427.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
PubChem CID122268803
Molecular FormulaC19H24F3N5O3
Molecular Weight427.43 g/mol
Exact Mass427.18
IUPAC NameN-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1
InChIInChI=1S/C19H24F3N5O3/c1-3-30-15-6-4-13(5-7-15)23-16(28)12-26-10-8-14(9-11-26)27-18(29)25(2)17(24-27)19(20,21)22/h4-7,14H,3,8-12H2,1-2H3,(H,23,28)
InChIKeyDFNLRYUSCZWBRE-UHFFFAOYSA-N
XLogP2.27
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
CID 122268817
N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
CID 122268804
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
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268609
N-(4-ethoxyphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 90542157
methyl N-[4-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 122269015
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909487
2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90542362
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 19527047
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 90493984
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide (CID 122268803) is N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is DFNLRYUSCZWBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O3/c1-3-30-15-6-4-13(5-7-15)23-16(28)12-26-10-8-14(9-11-26)27-18(29)25(2)17(24-27)19(20,21)22/h4-7,14H,3,8-12H2,1-2H3,(H,23,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 427.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 122268803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).