N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide

C19H22F3N5O — CID 31536285

IUPACN-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H22F3N5O/c1-2-14-5-3-4-6-15(14)24-17(28)13-26-9-11-27(12-10-26)18-23-8-7-16(25-18)19(20,21)22/h3-8H,2,9-13H2,1H3,(H,24,28)
InChIKeyNLIUANZBBOKWGI-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.82
Rot. Bonds5

About N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide (PubChem CID 31536285) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
PubChem CID31536285
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC NameN-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C19H22F3N5O/c1-2-14-5-3-4-6-15(14)24-17(28)13-26-9-11-27(12-10-26)18-23-8-7-16(25-18)19(20,21)22/h3-8H,2,9-13H2,1H3,(H,24,28)
InChIKeyNLIUANZBBOKWGI-UHFFFAOYSA-N
XLogP2.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
CID 36627980
2-[4-[3,5-bis(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27851906
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 155980463
2-[4-[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30996473
2-[4-[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 133416214
N-[2-(trifluoromethyl)phenyl]-2-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 133358312
N-(2-ethylphenyl)-2-[4-[2-[2-(trifluoromethyl)phenoxy]acetyl]piperazin-1-yl]acetamide
CID 39015022
2-[4-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 133440523
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazin-1-yl]acetamide
CID 8795402

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide (CID 31536285) is N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The InChIKey is NLIUANZBBOKWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-2-14-5-3-4-6-15(14)24-17(28)13-26-9-11-27(12-10-26)18-23-8-7-16(25-18)19(20,21)22/h3-8H,2,9-13H2,1H3,(H,24,28).
What are the key properties of N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31536285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).