N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C15H19F3N2O2 — CID 123473878

IUPACN-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCNCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O2/c1-2-20(14(21)11-7-9-19-10-8-11)12-3-5-13(6-4-12)22-15(16,17)18/h3-6,11,19H,2,7-10H2,1H3
InChIKeyJKJCCMODVMIJJU-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.94
Rot. Bonds4

About N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 123473878) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID123473878
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESCCN(C(=O)C1CCNCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H19F3N2O2/c1-2-20(14(21)11-7-9-19-10-8-11)12-3-5-13(6-4-12)22-15(16,17)18/h3-6,11,19H,2,7-10H2,1H3
InChIKeyJKJCCMODVMIJJU-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
N-[6-[cyclopropanecarbonyl(ethyl)amino]-4-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-N-ethylcyclopropanecarboxamide
CID 134261177
piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458
N-[2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 129105406
N-(3,5-dichlorophenyl)-N-ethylpiperidine-4-carboxamide;hydrochloride
CID 140562388
N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119670332
tert-butyl formate;piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 174725134
[amino-[N-ethyl-4-(trifluoromethoxy)anilino]methylidene]urea
CID 57270178
N-(4,6-dimethylpyrimidin-2-yl)-N-[4-(trifluoromethoxy)phenyl]cyclopropanecarboxamide
CID 3590115
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 123473878) is N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is CCN(C(=O)C1CCNCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is JKJCCMODVMIJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-2-20(14(21)11-7-9-19-10-8-11)12-3-5-13(6-4-12)22-15(16,17)18/h3-6,11,19H,2,7-10H2,1H3.
What are the key properties of N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 123473878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).