5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide

C13H16F3N3O — CID 63102747

IUPAC5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2ccccc2C(F)(F)F)CN1
InChIInChI=1S/C13H16F3N3O/c1-8-6-18-11(7-17-8)12(20)19-10-5-3-2-4-9(10)13(14,15)16/h2-5,8,11,17-18H,6-7H2,1H3,(H,19,20)
InChIKeyMNLPQXSDFVOJTK-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.59
Rot. Bonds2

About 5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide

5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide (PubChem CID 63102747) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide
PubChem CID63102747
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide
SMILESCC1CNC(C(=O)Nc2ccccc2C(F)(F)F)CN1
InChIInChI=1S/C13H16F3N3O/c1-8-6-18-11(7-17-8)12(20)19-10-5-3-2-4-9(10)13(14,15)16/h2-5,8,11,17-18H,6-7H2,1H3,(H,19,20)
InChIKeyMNLPQXSDFVOJTK-UHFFFAOYSA-N
XLogP1.59
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580
N-(2,6-diethylphenyl)-5-methylpiperazine-2-carboxamide
CID 63102745
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
(1R,6R)-6-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 897574
1-(azetidin-3-yl)-1-methyl-3-[2-(trifluoromethyl)phenyl]urea
CID 66188265
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
N-(2,3-dihydro-1H-inden-2-yl)-5-methylpiperazine-2-carboxamide
CID 107855875
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792
2,2-dimethyl-3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64837457
1-N-(2,3-dimethylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141940

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide (CID 63102747) is 5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide is CC1CNC(C(=O)Nc2ccccc2C(F)(F)F)CN1.
What is the InChIKey of 5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide?
The InChIKey is MNLPQXSDFVOJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8-6-18-11(7-17-8)12(20)19-10-5-3-2-4-9(10)13(14,15)16/h2-5,8,11,17-18H,6-7H2,1H3,(H,19,20).
What are the key properties of 5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide?
5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide is sourced from PubChem (CID 63102747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).