ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate

C10H15F3N2O3 — CID 62491090

IUPACethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-18-9(17)15-5-3-7(4-6-15)14-8(16)10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyLJRIGJMJUYHTFI-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.29
Rot. Bonds2

About ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate

ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate (PubChem CID 62491090) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
PubChem CID62491090
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Nameethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-18-9(17)15-5-3-7(4-6-15)14-8(16)10(11,12)13/h7H,2-6H2,1H3,(H,14,16)
InChIKeyLJRIGJMJUYHTFI-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate (CID 62491090) is ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate?
The InChIKey is LJRIGJMJUYHTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-18-9(17)15-5-3-7(4-6-15)14-8(16)10(11,12)13/h7H,2-6H2,1H3,(H,14,16).
What are the key properties of ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate has a molecular weight of 268.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 62491090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).