2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide

C13H15F3N2O — CID 65100676

IUPAC2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1c(F)cc(F)cc1F)C1CCNCC1
InChIInChI=1S/C13H15F3N2O/c1-18(9-2-4-17-5-3-9)13(19)12-10(15)6-8(14)7-11(12)16/h6-7,9,17H,2-5H2,1H3
InChIKeyHIKHVYDMESEIHH-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.93
Rot. Bonds2

About 2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide

2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide (PubChem CID 65100676) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
PubChem CID65100676
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1c(F)cc(F)cc1F)C1CCNCC1
InChIInChI=1S/C13H15F3N2O/c1-18(9-2-4-17-5-3-9)13(19)12-10(15)6-8(14)7-11(12)16/h6-7,9,17H,2-5H2,1H3
InChIKeyHIKHVYDMESEIHH-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
4-bromo-N-cyclobutyl-2,6-difluoro-N-methylbenzamide
CID 115686751
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
2,5-difluoro-N-methyl-3-nitro-N-piperidin-4-ylbenzamide
CID 107122608
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 107172410

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide (CID 65100676) is 2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide is CN(C(=O)c1c(F)cc(F)cc1F)C1CCNCC1.
What is the InChIKey of 2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is HIKHVYDMESEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-18(9-2-4-17-5-3-9)13(19)12-10(15)6-8(14)7-11(12)16/h6-7,9,17H,2-5H2,1H3.
What are the key properties of 2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide?
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 272.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 65100676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).