2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C23H25F3N4O4 — CID 24547658

IUPAC2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1c(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C23H25F3N4O4/c1-14-20-17(3-2-4-18(20)31)28-21(14)22(33)30-11-9-29(10-12-30)13-19(32)27-15-5-7-16(8-6-15)34-23(24,25)26/h5-8,28H,2-4,9-13H2,1H3,(H,27,32)
InChIKeyOAQWVDFBFLIQCJ-UHFFFAOYSA-N
MW478.47 g/mol
LogP3.14
Rot. Bonds5

About 2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 24547658) has the molecular formula C23H25F3N4O4 and a molecular weight of 478.47 g/mol. Its IUPAC name is 2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID24547658
Molecular FormulaC23H25F3N4O4
Molecular Weight478.47 g/mol
Exact Mass478.18
IUPAC Name2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1c(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C23H25F3N4O4/c1-14-20-17(3-2-4-18(20)31)28-21(14)22(33)30-11-9-29(10-12-30)13-19(32)27-15-5-7-16(8-6-15)34-23(24,25)26/h5-8,28H,2-4,9-13H2,1H3,(H,27,32)
InChIKeyOAQWVDFBFLIQCJ-UHFFFAOYSA-N
XLogP3.14
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylbenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020888
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 43017485
2-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020912
2-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24616434
2-[4-(4-aminobutanoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119833580
3-methyl-2-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24671510
2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 86949042
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51578372
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 34781907
2-[4-(3-methyl-2-nitrobenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27852359
N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 9435405

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 24547658) is 2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1c(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of 2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is OAQWVDFBFLIQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O4/c1-14-20-17(3-2-4-18(20)31)28-21(14)22(33)30-11-9-29(10-12-30)13-19(32)27-15-5-7-16(8-6-15)34-23(24,25)26/h5-8,28H,2-4,9-13H2,1H3,(H,27,32).
What are the key properties of 2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 478.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 24547658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).