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

C19H23F3N6O3 — CID 122268817

IUPACN-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1
InChIInChI=1S/C19H23F3N6O3/c1-12(29)23-13-4-3-5-14(10-13)24-16(30)11-27-8-6-15(7-9-27)28-18(31)26(2)17(25-28)19(20,21)22/h3-5,10,15H,6-9,11H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyOXXQTIMPFQSVBZ-UHFFFAOYSA-N
MW440.43 g/mol
LogP1.83
Rot. Bonds5

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

N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 122268817) has the molecular formula C19H23F3N6O3 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
PubChem CID122268817
Molecular FormulaC19H23F3N6O3
Molecular Weight440.43 g/mol
Exact Mass440.18
IUPAC NameN-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1
InChIInChI=1S/C19H23F3N6O3/c1-12(29)23-13-4-3-5-14(10-13)24-16(30)11-27-8-6-15(7-9-27)28-18(31)26(2)17(25-28)19(20,21)22/h3-5,10,15H,6-9,11H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyOXXQTIMPFQSVBZ-UHFFFAOYSA-N
XLogP1.83
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
CID 122268803
N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
CID 122268804
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
4-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268617
N-(4-acetamidophenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 3229037
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268852
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
N-(3-methylphenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469631
2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42609562
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
2-[4-[acetyl(ethyl)amino]piperidin-1-yl]-N-phenylacetamide
CID 70256212
methyl N-[4-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 122269015

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide (CID 122268817) is N-(3-acetamidophenyl)-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-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide is CC(=O)Nc1cccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
The InChIKey is OXXQTIMPFQSVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O3/c1-12(29)23-13-4-3-5-14(10-13)24-16(30)11-27-8-6-15(7-9-27)28-18(31)26(2)17(25-28)19(20,21)22/h3-5,10,15H,6-9,11H2,1-2H3,(H,23,29)(H,24,30).
What are the key properties of N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?
N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 440.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 122268817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).