4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

C15H18F3N3O3 — CID 71846830

IUPAC4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cccc(OC(F)(F)F)c2)C(C)C1
InChIInChI=1S/C15H18F3N3O3/c1-10-9-20(11(2)22)6-7-21(10)14(23)19-12-4-3-5-13(8-12)24-15(16,17)18/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,23)
InChIKeyZOYVQXCEYMMHNE-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.67
Rot. Bonds2

About 4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 71846830) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is 4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID71846830
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cccc(OC(F)(F)F)c2)C(C)C1
InChIInChI=1S/C15H18F3N3O3/c1-10-9-20(11(2)22)6-7-21(10)14(23)19-12-4-3-5-13(8-12)24-15(16,17)18/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,23)
InChIKeyZOYVQXCEYMMHNE-UHFFFAOYSA-N
XLogP2.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide
CID 71846805
4-acetyl-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 136532879
2-chloro-N-[[3-(trifluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328961
4-[2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42710452
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961269
3-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid
CID 165430418
1-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 95143295
3-[[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid
CID 165430419
4-(pentanoylamino)-N-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 127145276
tert-butyl (3S,4S)-3-hydroxy-4-[3-(trifluoromethoxy)anilino]pyrrolidine-1-carboxylate
CID 90406004

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (CID 71846830) is 4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2cccc(OC(F)(F)F)c2)C(C)C1.
What is the InChIKey of 4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is ZOYVQXCEYMMHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-10-9-20(11(2)22)6-7-21(10)14(23)19-12-4-3-5-13(8-12)24-15(16,17)18/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,23).
What are the key properties of 4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 71846830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).