N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide

C15H19F3N2O2 — CID 119315211

IUPACN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCNCC2)cccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-10-12(20-14(21)11-5-7-19-8-6-11)3-2-4-13(10)22-9-15(16,17)18/h2-4,11,19H,5-9H2,1H3,(H,20,21)
InChIKeyPYYHOKGEORYLMS-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.87
Rot. Bonds4

About N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide

N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 119315211) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
PubChem CID119315211
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCNCC2)cccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O2/c1-10-12(20-14(21)11-5-7-19-8-6-11)3-2-4-13(10)22-9-15(16,17)18/h2-4,11,19H,5-9H2,1H3,(H,20,21)
InChIKeyPYYHOKGEORYLMS-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-3-carboxamide
CID 119315223
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
methyl 4-(piperidine-4-carbonylamino)-3-(2,2,2-trifluoroethoxy)benzoate;hydrochloride
CID 119314709
(2S,4S)-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619560
N-(3-fluoro-2-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119281807
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119286140
N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
2-(methylamino)-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119769160
(2S)-2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119315205
2-amino-N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120791678

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide (CID 119315211) is N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide is Cc1c(NC(=O)C2CCNCC2)cccc1OCC(F)(F)F.
What is the InChIKey of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is PYYHOKGEORYLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10-12(20-14(21)11-5-7-19-8-6-11)3-2-4-13(10)22-9-15(16,17)18/h2-4,11,19H,5-9H2,1H3,(H,20,21).
What are the key properties of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide?
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 119315211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).