2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide

C13H16F3N3O — CID 67506551

IUPAC2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide
SMILESCc1c(C(N)=O)ccc(N2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c1-8-9(12(17)20)2-3-10(11(8)13(14,15)16)19-6-4-18-5-7-19/h2-3,18H,4-7H2,1H3,(H2,17,20)
InChIKeyDNZCBQIZGAGWKN-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.52
Rot. Bonds2

About 2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide

2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide (PubChem CID 67506551) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide
PubChem CID67506551
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide
SMILESCc1c(C(N)=O)ccc(N2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C13H16F3N3O/c1-8-9(12(17)20)2-3-10(11(8)13(14,15)16)19-6-4-18-5-7-19/h2-3,18H,4-7H2,1H3,(H2,17,20)
InChIKeyDNZCBQIZGAGWKN-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-piperazin-1-ylbenzamide
CID 62494814
4-(2-hydroxyphenyl)-2-methyl-3-piperazin-1-ylbenzamide
CID 23433367
4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)benzamide
CID 43138481
1-[4-methyl-2-(trifluoromethyl)phenyl]piperazine
CID 21363835
4-chloro-2-(1,4-diazepan-1-yl)benzamide
CID 63082408
3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 175207063
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845
4-methyl-2-[2-piperazin-1-yl-5-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxamide
CID 141422989
2-methyl-3-pyrrolidin-1-ylbenzamide
CID 154257026
2-carbamoyl-3-piperazin-1-ylbenzoic acid
CID 172739762
2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 65462817
6-(6-aminopyrimidin-4-yl)oxy-N-[2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 90894187

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide (CID 67506551) is 2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide is Cc1c(C(N)=O)ccc(N2CCNCC2)c1C(F)(F)F.
What is the InChIKey of 2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide?
The InChIKey is DNZCBQIZGAGWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-8-9(12(17)20)2-3-10(11(8)13(14,15)16)19-6-4-18-5-7-19/h2-3,18H,4-7H2,1H3,(H2,17,20).
What are the key properties of 2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide?
2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide has a molecular weight of 287.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 67506551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).