N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C18H25F3N2O2 — CID 51120238

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-13-4-3-5-14(2)16(13)25-11-8-22-17(24)15-6-9-23(10-7-15)12-18(19,20)21/h3-5,15H,6-12H2,1-2H3,(H,22,24)
InChIKeyZGKREHYNDDBMLB-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.07
Rot. Bonds6

About N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 51120238) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID51120238
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCc1cccc(C)c1OCCNC(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O2/c1-13-4-3-5-14(2)16(13)25-11-8-22-17(24)15-6-9-23(10-7-15)12-18(19,20)21/h3-5,15H,6-12H2,1-2H3,(H,22,24)
InChIKeyZGKREHYNDDBMLB-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
9-amino-N-[2-(2,6-dimethylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986147
methyl 1-[N-[3-(2,6-dimethylphenoxy)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111252365
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86991814
N-[2-(2,6-dimethylphenoxy)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110934299
N-[2-(2,6-dimethylphenoxy)ethyl]azepane-1-carboxamide
CID 112973327
N-[2-(2,6-dimethylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55717146
1-[3-(2,6-dimethylphenoxy)propyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907743
(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950392
N-[2-(2-methylphenoxy)ethyl]cyclobutanecarboxamide
CID 113099100
N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 112973265
N-[(1-phenylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56813205

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 51120238) is N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is Cc1cccc(C)c1OCCNC(=O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is ZGKREHYNDDBMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-13-4-3-5-14(2)16(13)25-11-8-22-17(24)15-6-9-23(10-7-15)12-18(19,20)21/h3-5,15H,6-12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 51120238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).