4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C10H17F3N2O2 — CID 113226527

IUPAC4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-17-8-3-5-15(6-4-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyYBAHEGCAOINXLX-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.76
Rot. Bonds3

About 4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 113226527) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID113226527
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-17-8-3-5-15(6-4-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyYBAHEGCAOINXLX-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 113226527) is 4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CCOC1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is YBAHEGCAOINXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-17-8-3-5-15(6-4-8)9(16)14-7-10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 113226527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).