4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide

C10H17F3N2O2 — CID 82722066

IUPAC4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
SMILESCCC1(C(=O)NOCC(F)(F)F)CCNCC1
InChIInChI=1S/C10H17F3N2O2/c1-2-9(3-5-14-6-4-9)8(16)15-17-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyRQPIHZYSDNXWQT-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.38
Rot. Bonds4

About 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide

4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide (PubChem CID 82722066) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
PubChem CID82722066
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
SMILESCCC1(C(=O)NOCC(F)(F)F)CCNCC1
InChIInChI=1S/C10H17F3N2O2/c1-2-9(3-5-14-6-4-9)8(16)15-17-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16)
InChIKeyRQPIHZYSDNXWQT-UHFFFAOYSA-N
XLogP1.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide (CID 82722066) is 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide is CCC1(C(=O)NOCC(F)(F)F)CCNCC1.
What is the InChIKey of 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
The InChIKey is RQPIHZYSDNXWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-9(3-5-14-6-4-9)8(16)15-17-7-10(11,12)13/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide is sourced from PubChem (CID 82722066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).