N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide

C12H17F6N3O2 — CID 71869797

IUPACN-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F6N3O2/c1-20(7-11(13,14)15)9(22)5-19-10(23)21-4-2-3-8(6-21)12(16,17)18/h8H,2-7H2,1H3,(H,19,23)
InChIKeyDUENMBHQEJUBGA-UHFFFAOYSA-N
MW349.28 g/mol
LogP1.99
Rot. Bonds3

About N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide

N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 71869797) has the molecular formula C12H17F6N3O2 and a molecular weight of 349.28 g/mol. Its IUPAC name is N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID71869797
Molecular FormulaC12H17F6N3O2
Molecular Weight349.28 g/mol
Exact Mass349.12
IUPAC NameN-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CNC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H17F6N3O2/c1-20(7-11(13,14)15)9(22)5-19-10(23)21-4-2-3-8(6-21)12(16,17)18/h8H,2-7H2,1H3,(H,19,23)
InChIKeyDUENMBHQEJUBGA-UHFFFAOYSA-N
XLogP1.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dimethylamino)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]piperidine-1-carboxamide
CID 71868030
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 71985645
N-(3-methylbutyl)-3-oxopiperazine-1-carboxamide
CID 172433619
3-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 42948772
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 45794305
N1-((1-(tert-butylcarbamoyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49754747
3-oxo-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperazine-1-carboxamide
CID 71862960
4-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-oxopiperazine-1-carboxamide
CID 99841184
(3S)-3-methyl-5-oxo-N-[[1-(trifluoromethyl)cyclobutyl]methyl]piperazine-1-carboxamide
CID 164633751
2-(3-Methylpiperidin-1-yl)-2-oxoacetamide;trifluoromethylcyclopropane
CID 169114840
2-[(3R)-3-methylpiperidin-1-ium-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8434208
2-[(3R)-3-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8434209

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide (CID 71869797) is N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide is CN(CC(F)(F)F)C(=O)CNC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is DUENMBHQEJUBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6N3O2/c1-20(7-11(13,14)15)9(22)5-19-10(23)21-4-2-3-8(6-21)12(16,17)18/h8H,2-7H2,1H3,(H,19,23).
What are the key properties of N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide?
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 349.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71869797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).