N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide

C15H19F3N2O2 — CID 119315223

IUPACN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
SMILESCc1c(NC(=O)C2CCCNC2)cccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-10-12(20-14(21)11-4-3-7-19-8-11)5-2-6-13(10)22-9-15(16,17)18/h2,5-6,11,19H,3-4,7-9H2,1H3,(H,20,21)
InChIKeyBYZGORGZHZKGLM-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.87
Rot. Bonds4

About N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide

N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 119315223) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
PubChem CID119315223
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
SMILESCc1c(NC(=O)C2CCCNC2)cccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-10-12(20-14(21)11-4-3-7-19-8-11)5-2-6-13(10)22-9-15(16,17)18/h2,5-6,11,19H,3-4,7-9H2,1H3,(H,20,21)
InChIKeyBYZGORGZHZKGLM-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119315211
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119315217
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315216
N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119324692
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-[3-(butanoylamino)-2-methylphenyl]piperidine-3-carboxamide
CID 119302550
N-(2-methyl-3-sulfamoylphenyl)piperidine-3-carboxamide
CID 60945170
N-(2-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 54794739
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769160
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide (CID 119315223) is N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide is Cc1c(NC(=O)C2CCCNC2)cccc1OCC(F)(F)F.
What is the InChIKey of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is BYZGORGZHZKGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10-12(20-14(21)11-4-3-7-19-8-11)5-2-6-13(10)22-9-15(16,17)18/h2,5-6,11,19H,3-4,7-9H2,1H3,(H,20,21).
What are the key properties of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide?
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119315223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).