2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

C16H22F3N3O — CID 120813497

IUPAC2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(C)c1
InChIInChI=1S/C16H22F3N3O/c1-11-3-4-13(12(2)9-11)15(23)21-10-14(16(17,18)19)22-7-5-20-6-8-22/h3-4,9,14,20H,5-8,10H2,1-2H3,(H,21,23)
InChIKeyXGGWVWVRMSTPME-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.87
Rot. Bonds4

About 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide

2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (PubChem CID 120813497) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
PubChem CID120813497
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(C)c1
InChIInChI=1S/C16H22F3N3O/c1-11-3-4-13(12(2)9-11)15(23)21-10-14(16(17,18)19)22-7-5-20-6-8-22/h3-4,9,14,20H,5-8,10H2,1-2H3,(H,21,23)
InChIKeyXGGWVWVRMSTPME-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 120811797
4-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide;hydrochloride
CID 120811888
2-chloro-4-fluoro-5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813211
4-acetyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120812517
2,3,4-trifluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811198
2,5-dimethyl-1-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrole-3-carboxamide;hydrochloride
CID 120813412
4-tert-butyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120811336
2-(2,5-dimethylphenoxy)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120810955
8-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 120811999
2-bromo-5-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120810815
2,5-dichloro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 120811653
4-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120812332

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide (CID 120813497) is 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is Cc1ccc(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
The InChIKey is XGGWVWVRMSTPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O/c1-11-3-4-13(12(2)9-11)15(23)21-10-14(16(17,18)19)22-7-5-20-6-8-22/h3-4,9,14,20H,5-8,10H2,1-2H3,(H,21,23).
What are the key properties of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide?
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide has a molecular weight of 329.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 120813497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).