5-piperidin-2-yl-2-(trifluoromethyl)benzamide

C13H15F3N2O — CID 163347824

IUPAC5-piperidin-2-yl-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C2CCCCN2)ccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-5-4-8(7-9(10)12(17)19)11-3-1-2-6-18-11/h4-5,7,11,18H,1-3,6H2,(H2,17,19)
InChIKeyZHWMBVDVZOPDIW-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.62
Rot. Bonds2

About 5-piperidin-2-yl-2-(trifluoromethyl)benzamide

5-piperidin-2-yl-2-(trifluoromethyl)benzamide (PubChem CID 163347824) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-piperidin-2-yl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-piperidin-2-yl-2-(trifluoromethyl)benzamide
PubChem CID163347824
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name5-piperidin-2-yl-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C2CCCCN2)ccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-5-4-8(7-9(10)12(17)19)11-3-1-2-6-18-11/h4-5,7,11,18H,1-3,6H2,(H2,17,19)
InChIKeyZHWMBVDVZOPDIW-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 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 ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195520
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196154
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
3-[(2S)-piperidin-2-yl]benzamide;hydrochloride
CID 154574752
2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 66519029
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196281
2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 126796326
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899
acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine
CID 174645141
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-2-yl-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-piperidin-2-yl-2-(trifluoromethyl)benzamide (CID 163347824) is 5-piperidin-2-yl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-piperidin-2-yl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-piperidin-2-yl-2-(trifluoromethyl)benzamide is NC(=O)c1cc(C2CCCCN2)ccc1C(F)(F)F.
What is the InChIKey of 5-piperidin-2-yl-2-(trifluoromethyl)benzamide?
The InChIKey is ZHWMBVDVZOPDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)10-5-4-8(7-9(10)12(17)19)11-3-1-2-6-18-11/h4-5,7,11,18H,1-3,6H2,(H2,17,19).
What are the key properties of 5-piperidin-2-yl-2-(trifluoromethyl)benzamide?
5-piperidin-2-yl-2-(trifluoromethyl)benzamide has a molecular weight of 272.27 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-2-yl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 163347824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).