3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide

C15H20F3N3O — CID 118527457

IUPAC3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCc1cc(C(=O)NCC(F)(F)F)cc(N2CCNCC2)c1
InChIInChI=1S/C15H20F3N3O/c1-2-11-7-12(14(22)20-10-15(16,17)18)9-13(8-11)21-5-3-19-4-6-21/h7-9,19H,2-6,10H2,1H3,(H,20,22)
InChIKeyQIMLEJRDYKGBBK-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.95
Rot. Bonds4

About 3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide

3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 118527457) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID118527457
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCc1cc(C(=O)NCC(F)(F)F)cc(N2CCNCC2)c1
InChIInChI=1S/C15H20F3N3O/c1-2-11-7-12(14(22)20-10-15(16,17)18)9-13(8-11)21-5-3-19-4-6-21/h7-9,19H,2-6,10H2,1H3,(H,20,22)
InChIKeyQIMLEJRDYKGBBK-UHFFFAOYSA-N
XLogP1.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 88876080
1-(3-ethyl-5-fluorophenyl)piperazine
CID 84780261
N-[(5-chloro-2-ethylsulfanylphenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide
CID 134548383
1-(3-ethylphenyl)piperazine;hydrochloride
CID 19911472
N-[(2Z,4Z)-6-chloro-3-ethylsulfonyl-2-methylhepta-2,4,6-trienyl]-3-piperazin-1-yl-5-(trifluoromethyl)benzamide
CID 162563326
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120758156
N-ethyl-3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146059399
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 143404244
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 165436239
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 120758101
3-methyl-5-piperazin-1-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 123584307

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide (CID 118527457) is 3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide is CCc1cc(C(=O)NCC(F)(F)F)cc(N2CCNCC2)c1.
What is the InChIKey of 3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is QIMLEJRDYKGBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-2-11-7-12(14(22)20-10-15(16,17)18)9-13(8-11)21-5-3-19-4-6-21/h7-9,19H,2-6,10H2,1H3,(H,20,22).
What are the key properties of 3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide?
3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 315.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-piperazin-1-yl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 118527457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).