2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H24F3N5O2 — CID 78822355

IUPAC2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CCC#N)CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H24F3N5O2/c1-25(8-4-7-23)14-18(29)27-11-9-26(10-12-27)13-17(28)24-16-6-3-2-5-15(16)19(20,21)22/h2-3,5-6H,4,8-14H2,1H3,(H,24,28)
InChIKeyYTDVWVXEHFBGCX-UHFFFAOYSA-N
MW411.43 g/mol
LogP1.63
Rot. Bonds7

About 2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 78822355) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID78822355
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC Name2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CCC#N)CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H24F3N5O2/c1-25(8-4-7-23)14-18(29)27-11-9-26(10-12-27)13-17(28)24-16-6-3-2-5-15(16)19(20,21)22/h2-3,5-6H,4,8-14H2,1H3,(H,24,28)
InChIKeyYTDVWVXEHFBGCX-UHFFFAOYSA-N
XLogP1.63
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(cyanomethylsulfanyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39933397
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429545
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9224136
2-[4-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26516896
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]-N-propylacetamide
CID 30963694
N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 30964057
1-(2-cyanoethyl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 61314609
N-(2-methylpropyl)-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 9348957
2-[4-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547623
2-[4-[2-(2-nitrophenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849496
N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide
CID 24665074

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 78822355) is 2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CCC#N)CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YTDVWVXEHFBGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-25(8-4-7-23)14-18(29)27-11-9-26(10-12-27)13-17(28)24-16-6-3-2-5-15(16)19(20,21)22/h2-3,5-6H,4,8-14H2,1H3,(H,24,28).
What are the key properties of 2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 411.43 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-cyanoethyl(methyl)amino]acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78822355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).