2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide

C13H16F3N3O — CID 135203299

IUPAC2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(C(F)(F)F)c1CN1CCNCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-3-1-2-9(12(17)20)10(11)8-19-6-4-18-5-7-19/h1-3,18H,4-8H2,(H2,17,20)
InChIKeyRANBCLIZBNHHKQ-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.21
Rot. Bonds3

About 2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide

2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 135203299) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID135203299
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(C(F)(F)F)c1CN1CCNCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-3-1-2-9(12(17)20)10(11)8-19-6-4-18-5-7-19/h1-3,18H,4-8H2,(H2,17,20)
InChIKeyRANBCLIZBNHHKQ-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenol
CID 84710181
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine
CID 66842407
2,2-dimethyl-4-[2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]but-3-ynoic acid
CID 172858792
2-(methylaminomethyl)-3-(trifluoromethyl)benzamide
CID 144717479
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)benzohydrazide
CID 151099376
4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide
CID 174602337
2-hydroxy-3-(trifluoromethyl)benzamide;hydrochloride
CID 141021225
9-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414273
N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119446542
3-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propanoic acid
CID 117244247
1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine
CID 117196518

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide (CID 135203299) is 2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide is NC(=O)c1cccc(C(F)(F)F)c1CN1CCNCC1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is RANBCLIZBNHHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)11-3-1-2-9(12(17)20)10(11)8-19-6-4-18-5-7-19/h1-3,18H,4-8H2,(H2,17,20).
What are the key properties of 2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide?
2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 287.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 135203299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).