1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide

C10H15F3N2O3 — CID 81341059

IUPAC1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NOCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-7(16)15-4-2-3-8(5-15)9(17)14-18-6-10(11,12)13/h8H,2-6H2,1H3,(H,14,17)
InChIKeyUKBWJGIVTTYYIH-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.86
Rot. Bonds3

About 1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide

1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide (PubChem CID 81341059) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
PubChem CID81341059
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NOCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-7(16)15-4-2-3-8(5-15)9(17)14-18-6-10(11,12)13/h8H,2-6H2,1H3,(H,14,17)
InChIKeyUKBWJGIVTTYYIH-UHFFFAOYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
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 1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide (CID 81341059) is 1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NOCC(F)(F)F)C1.
What is the InChIKey of 1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide?
The InChIKey is UKBWJGIVTTYYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-7(16)15-4-2-3-8(5-15)9(17)14-18-6-10(11,12)13/h8H,2-6H2,1H3,(H,14,17).
What are the key properties of 1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide?
1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide has a molecular weight of 268.23 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide is sourced from PubChem (CID 81341059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).