ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate

C11H17F3N2O3 — CID 113224228

IUPACethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-19-9(17)8-4-3-5-16(6-8)10(18)15-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,18)
InChIKeyZZMODAVKTOSMJB-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.53
Rot. Bonds3

About ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate

ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate (PubChem CID 113224228) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate
PubChem CID113224228
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Nameethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-19-9(17)8-4-3-5-16(6-8)10(18)15-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,18)
InChIKeyZZMODAVKTOSMJB-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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate (CID 113224228) is ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is ZZMODAVKTOSMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-19-9(17)8-4-3-5-16(6-8)10(18)15-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,18).
What are the key properties of ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate?
ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-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 ethyl 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 113224228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).