4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide

C12H21F3N2O2 — CID 114429060

IUPAC4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCCOCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-2-9-3-4-16-10(7-9)11(18)17-5-6-19-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyPBSVYKVHXMOHIV-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.46
Rot. Bonds6

About 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide

4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide (PubChem CID 114429060) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide
PubChem CID114429060
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCCOCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-2-9-3-4-16-10(7-9)11(18)17-5-6-19-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18)
InChIKeyPBSVYKVHXMOHIV-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

LM11A-31
CID 18604758
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
2-Amino-4-methyl-1-(morpholin-4-YL)pentan-1-one
CID 21355341
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]cyclopentanecarboxamide
CID 45814746
N1-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751077
(2S)-2-amino-4-methyl-1-(morpholin-4-yl)pentan-1-one
CID 15342503
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 42913823
2-(3-Fluoropropylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
CID 86782235
2-(1-Cyclopentylethylamino)-1-morpholin-4-ylbutan-1-one
CID 91644816
l-Isoleucylglycine, N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester
CID 91718621
N-[(2S)-1-(ethylamino)-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide;yttrium
CID 59414100

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide (CID 114429060) is 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide is CCC1CCNC(C(=O)NCCOCC(F)(F)F)C1.
What is the InChIKey of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide?
The InChIKey is PBSVYKVHXMOHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-9-3-4-16-10(7-9)11(18)17-5-6-19-8-12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide?
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 114429060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).