ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate

C11H18F3N3O3 — CID 47134277

IUPACethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O3/c1-2-20-10(19)17-5-3-8(4-6-17)16-9(18)15-7-11(12,13)14/h8H,2-7H2,1H3,(H2,15,16,18)
InChIKeyYBWGTAFBWNRETI-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.47
Rot. Bonds3

About ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate

ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 47134277) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate
PubChem CID47134277
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Nameethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O3/c1-2-20-10(19)17-5-3-8(4-6-17)16-9(18)15-7-11(12,13)14/h8H,2-7H2,1H3,(H2,15,16,18)
InChIKeyYBWGTAFBWNRETI-UHFFFAOYSA-N
XLogP1.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperidinecarboxylic acid, 4-(methylamino)-, ethyl ester
CID 11063140
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
2,2,2-trifluoroethyl N-(1-acetylpiperidin-4-yl)carbamate
CID 52908156
Ethyl 4-(carbamoylamino)piperidine-1-carboxylate
CID 17830258
ethyl N-(1,1,1,3,3,3-hexafluoro-2-piperidin-1-ylpropan-2-yl)carbamate
CID 2729342
tert-Butyl 4-((trifluoromethyl)amino)piperidine-1-carboxylate
CID 71629851
Ethyl N-methyl-N-(piperidin-4-YL)carbamate
CID 19761240
4-(2,2-Difluoro-ethylamino)-piperidine-1-carboxylic acid tert-butyl ester
CID 45158821
2,2,2-trifluoroethyl N-(2-(2-methylpiperidin-1-yl)ethyl)carbamate
CID 50987791
Propan-2-yl 4-[(dimethylcarbamoyl)amino]piperidine-1-carboxylate
CID 122136016
Methyl 4-(diethylcarbamoylamino)piperidine-1-carboxylate
CID 124484363
2,2,2-trifluoroethyl N-[(4S)-1-ethyl-3,3-difluoropiperidin-4-yl]carbamate
CID 164642448

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate (CID 47134277) is ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is YBWGTAFBWNRETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-2-20-10(19)17-5-3-8(4-6-17)16-9(18)15-7-11(12,13)14/h8H,2-7H2,1H3,(H2,15,16,18).
What are the key properties of ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate?
ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 297.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,2,2-trifluoroethylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 47134277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).