N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide

C13H16F3N3O — CID 1245378

IUPACN-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide
SMILESCN1CCN(NC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F3N3O/c1-18-5-7-19(8-6-18)17-12(20)10-3-2-4-11(9-10)13(14,15)16/h2-4,9H,5-8H2,1H3,(H,17,20)
InChIKeyHUYIFMZIXYKUER-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.60
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide

N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide (PubChem CID 1245378) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide
PubChem CID1245378
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC NameN-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide
SMILESCN1CCN(NC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F3N3O/c1-18-5-7-19(8-6-18)17-12(20)10-3-2-4-11(9-10)13(14,15)16/h2-4,9H,5-8H2,1H3,(H,17,20)
InChIKeyHUYIFMZIXYKUER-UHFFFAOYSA-N
XLogP1.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

FK-960
CID 181428
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3-((S)-1-Propyl-piperidin-3-yl)-benzamide
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(3-Methylphenyl)(piperazin-1-yl)methanone
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3-fluoro-N-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)benzamide
CID 9839990
(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
3-(Trifluoromethyl)benzoic acid hydrazide
CID 2777417
4-Fluoro-benzoic acid N'-(2-oxo-2-piperidin-1-yl-acetyl)-hydrazide
CID 3121381
3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide
CID 164609492
3-fluoro-N-(4-methylpiperazin-1-yl)benzamide
CID 903470
1-(3-(Trifluoromethyl)benzoyl)piperazine
CID 16769329

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide (CID 1245378) is N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide is CN1CCN(NC(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is HUYIFMZIXYKUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-18-5-7-19(8-6-18)17-12(20)10-3-2-4-11(9-10)13(14,15)16/h2-4,9H,5-8H2,1H3,(H,17,20).
What are the key properties of N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide?
N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 287.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 1245378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).