4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C20H20F3N3O2 — CID 2210407

IUPAC4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H20F3N3O2/c1-14(27)15-5-7-18(8-6-15)25-9-11-26(12-10-25)19(28)24-17-4-2-3-16(13-17)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,28)
InChIKeyJGOIHTIGXMUVFP-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.26
Rot. Bonds3

About 4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 2210407) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID2210407
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C20H20F3N3O2/c1-14(27)15-5-7-18(8-6-15)25-9-11-26(12-10-25)19(28)24-17-4-2-3-16(13-17)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,28)
InChIKeyJGOIHTIGXMUVFP-UHFFFAOYSA-N
XLogP4.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
4-(3-acetylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114133
methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 3820124
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
N-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114108
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394
N-(4-acetylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114224
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114078
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 2210407) is 4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is JGOIHTIGXMUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-14(27)15-5-7-18(8-6-15)25-9-11-26(12-10-25)19(28)24-17-4-2-3-16(13-17)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,28).
What are the key properties of 4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 391.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 2210407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).