2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate

C11H17F3N2O3 — CID 60706892

IUPAC2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
SMILESCCNC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-15-9(17)8-3-5-16(6-4-8)10(18)19-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyJIBNQKBOGOHBTB-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.53
Rot. Bonds3

About 2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate

2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 60706892) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
PubChem CID60706892
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
SMILESCCNC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-15-9(17)8-3-5-16(6-4-8)10(18)19-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyJIBNQKBOGOHBTB-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl 4-(3,3-diphenylpropylcarbamoyl)piperidine-1-carboxylate
CID 46680385
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
diethyl 5-[[1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 46563536
2,2,2-trifluoroethyl 4-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 46532378
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
2,2,2-trifluoroethyl 4-[[(1S)-1-(1-adamantyl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 38299370
2,2,2-trifluoroethyl azepane-1-carboxylate
CID 65168312
2,2,2-trifluoroethyl 3-methylpyrrolidine-1-carboxylate
CID 62734498
2,2,2-trifluoroethyl 4-[(2,4-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 32812975
2,2,2-trifluoroethyl 4-[(4-methylsulfonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 46680590
2,2,2-trifluoroethyl 4-[(2-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 46680523
ethyl 4-[4-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]azepane-1-carboxylate
CID 71570295

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate (CID 60706892) is 2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate is CCNC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is JIBNQKBOGOHBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-15-9(17)8-3-5-16(6-4-8)10(18)19-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,17).
What are the key properties of 2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate?
2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 282.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-(ethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 60706892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).