2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide

C13H15F3N2O — CID 124516935

IUPAC2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
SMILESC[C@H]1CNCC[C@H]1NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H15F3N2O/c1-7-6-17-3-2-11(7)18-13(19)12-9(15)4-8(14)5-10(12)16/h4-5,7,11,17H,2-3,6H2,1H3,(H,18,19)/t7-,11+/m0/s1
InChIKeyLKMPYOYICALTEG-WRWORJQWSA-N
MW272.27 g/mol
LogP1.83
Rot. Bonds2

About 2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide

2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide (PubChem CID 124516935) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
PubChem CID124516935
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
SMILESC[C@H]1CNCC[C@H]1NC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H15F3N2O/c1-7-6-17-3-2-11(7)18-13(19)12-9(15)4-8(14)5-10(12)16/h4-5,7,11,17H,2-3,6H2,1H3,(H,18,19)/t7-,11+/m0/s1
InChIKeyLKMPYOYICALTEG-WRWORJQWSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
2,5-difluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516939
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221
2-fluoro-6-iodo-N-(3-methylpiperidin-4-yl)benzamide
CID 120553263
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2-fluoro-4-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555140
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
3,5-difluoro-N-(4-methylpiperidin-3-yl)benzamide
CID 63326352
5-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)-2-nitrobenzamide
CID 120553465
2,4-difluoro-N-[(3R,4R)-4-methylpiperidin-3-yl]benzamide
CID 95401781
2-amino-5-fluoro-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide
CID 120556694

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide?
The IUPAC name of 2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide (CID 124516935) is 2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide is C[C@H]1CNCC[C@H]1NC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide?
The InChIKey is LKMPYOYICALTEG-WRWORJQWSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-7-6-17-3-2-11(7)18-13(19)12-9(15)4-8(14)5-10(12)16/h4-5,7,11,17H,2-3,6H2,1H3,(H,18,19)/t7-,11+/m0/s1.
What are the key properties of 2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide?
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide has a molecular weight of 272.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide is sourced from PubChem (CID 124516935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).