2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide

C14H18F3N3O — CID 65462817

IUPAC2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
SMILESCC1(C)CNCCN1c1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C14H18F3N3O/c1-13(2)8-19-5-6-20(13)11-4-3-9(14(15,16)17)7-10(11)12(18)21/h3-4,7,19H,5-6,8H2,1-2H3,(H2,18,21)
InChIKeyMQQUIHNJQMMSDS-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.99
Rot. Bonds2

About 2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide

2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide (PubChem CID 65462817) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
PubChem CID65462817
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
SMILESCC1(C)CNCCN1c1ccc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C14H18F3N3O/c1-13(2)8-19-5-6-20(13)11-4-3-9(14(15,16)17)7-10(11)12(18)21/h3-4,7,19H,5-6,8H2,1-2H3,(H2,18,21)
InChIKeyMQQUIHNJQMMSDS-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide (CID 65462817) is 2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide is CC1(C)CNCCN1c1ccc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is MQQUIHNJQMMSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-13(2)8-19-5-6-20(13)11-4-3-9(14(15,16)17)7-10(11)12(18)21/h3-4,7,19H,5-6,8H2,1-2H3,(H2,18,21).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide?
2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 301.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 65462817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).