2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

C24H26F3N3O — CID 55946647

IUPAC2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCc1cc2ccccc2n1CC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H26F3N3O/c1-17-13-19-6-2-3-8-22(19)30(17)16-23(31)28-21-9-11-29(12-10-21)15-18-5-4-7-20(14-18)24(25,26)27/h2-8,13-14,21H,9-12,15-16H2,1H3,(H,28,31)
InChIKeyPOZJQPGWSAYDEX-UHFFFAOYSA-N
MW429.49 g/mol
LogP4.75
Rot. Bonds5

About 2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide

2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 55946647) has the molecular formula C24H26F3N3O and a molecular weight of 429.49 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID55946647
Molecular FormulaC24H26F3N3O
Molecular Weight429.49 g/mol
Exact Mass429.20
IUPAC Name2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
SMILESCc1cc2ccccc2n1CC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H26F3N3O/c1-17-13-19-6-2-3-8-22(19)30(17)16-23(31)28-21-9-11-29(12-10-21)15-18-5-4-7-20(14-18)24(25,26)27/h2-8,13-14,21H,9-12,15-16H2,1H3,(H,28,31)
InChIKeyPOZJQPGWSAYDEX-UHFFFAOYSA-N
XLogP4.75
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
3-[4-(methylsulfamoyl)phenyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55945493
2-(2-methylindol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 47776662
2-[3,3-bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 67357202
3-(2-oxo-1,3-thiazolidin-3-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55946390
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
N-(2-methylcyclohexyl)-2-(2-methylindol-1-yl)acetamide
CID 5086759
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 40655877

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide (CID 55946647) is 2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is Cc1cc2ccccc2n1CC(=O)NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is POZJQPGWSAYDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O/c1-17-13-19-6-2-3-8-22(19)30(17)16-23(31)28-21-9-11-29(12-10-21)15-18-5-4-7-20(14-18)24(25,26)27/h2-8,13-14,21H,9-12,15-16H2,1H3,(H,28,31).
What are the key properties of 2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide?
2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 429.49 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 55946647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).