methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate

C11H17F3N2O3 — CID 78914733

IUPACmethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-19-10(18)8-2-4-16(5-3-8)9(17)6-15-7-11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyLCRRMYIBFFGDIL-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.55
Rot. Bonds4

About methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate

methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate (PubChem CID 78914733) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate
PubChem CID78914733
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Namemethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-19-10(18)8-2-4-16(5-3-8)9(17)6-15-7-11(12,13)14/h8,15H,2-7H2,1H3
InChIKeyLCRRMYIBFFGDIL-UHFFFAOYSA-N
XLogP0.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate (CID 78914733) is methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate?
The InChIKey is LCRRMYIBFFGDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-19-10(18)8-2-4-16(5-3-8)9(17)6-15-7-11(12,13)14/h8,15H,2-7H2,1H3.
What are the key properties of methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate has a molecular weight of 282.26 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 78914733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).