N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide

C14H17F3N2O — CID 106995588

IUPACN-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESCC1CC(NC(=O)c2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C14H17F3N2O/c1-9-7-12(5-6-18-9)19-13(20)10-3-2-4-11(8-10)14(15,16)17/h2-4,8-9,12,18H,5-7H2,1H3,(H,19,20)
InChIKeyKYJLOASDFAFCOB-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.58
Rot. Bonds2

About N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide

N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 106995588) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID106995588
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESCC1CC(NC(=O)c2cccc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C14H17F3N2O/c1-9-7-12(5-6-18-9)19-13(20)10-3-2-4-11(8-10)14(15,16)17/h2-4,8-9,12,18H,5-7H2,1H3,(H,19,20)
InChIKeyKYJLOASDFAFCOB-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide
CID 120598564
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
3-[cyclohexyl(methyl)sulfamoyl]-N-(2-methylpiperidin-4-yl)benzamide
CID 120598273
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120598473
N-(2-methylpiperidin-4-yl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 120601332

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide (CID 106995588) is N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide is CC1CC(NC(=O)c2cccc(C(F)(F)F)c2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is KYJLOASDFAFCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-7-12(5-6-18-9)19-13(20)10-3-2-4-11(8-10)14(15,16)17/h2-4,8-9,12,18H,5-7H2,1H3,(H,19,20).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 106995588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).