2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C19H20F3N3O — CID 1051921

IUPAC2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-6-8-16(9-7-15)23-18(26)14-24-10-12-25(13-11-24)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,23,26)
InChIKeyRXDZZSFBDZXWOG-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.47
Rot. Bonds4

About 2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 1051921) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID1051921
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)15-6-8-16(9-7-15)23-18(26)14-24-10-12-25(13-11-24)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,23,26)
InChIKeyRXDZZSFBDZXWOG-UHFFFAOYSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3568177
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90507543
N-(4-bromophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199175
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171998509
1-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 2809988
N-(4-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide;hydrochloride
CID 171700191
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 50875724
ethyl 4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate
CID 8932175

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 1051921) is 2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RXDZZSFBDZXWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)15-6-8-16(9-7-15)23-18(26)14-24-10-12-25(13-11-24)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,23,26).
What are the key properties of 2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1051921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).