N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C20H20F3N3O2 — CID 113114078

IUPACN-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C20H20F3N3O2/c1-14(27)15-5-4-6-16(13-15)24-19(28)26-11-9-25(10-12-26)18-8-3-2-7-17(18)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,28)
InChIKeyQLFFRBOBJPPOEC-UHFFFAOYSA-N
MW391.39 g/mol
LogP4.26
Rot. Bonds3

About N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 113114078) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID113114078
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C20H20F3N3O2/c1-14(27)15-5-4-6-16(13-15)24-19(28)26-11-9-25(10-12-26)18-8-3-2-7-17(18)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,28)
InChIKeyQLFFRBOBJPPOEC-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-(2-hydroxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 86988121
4-(3-acetylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114133
N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113111479
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113078021
4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
CID 113112618
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 58867740
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257
methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 3820124
N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103601

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 113114078) is N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is QLFFRBOBJPPOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-14(27)15-5-4-6-16(13-15)24-19(28)26-11-9-25(10-12-26)18-8-3-2-7-17(18)20(21,22)23/h2-8,13H,9-12H2,1H3,(H,24,28).
What are the key properties of N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(3-acetylphenyl)-4-[2-(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 N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113114078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).