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

C8H13F3N2O2 — CID 81433080

IUPACN-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
SMILESO=C(NOCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-15-13-7(14)6-1-3-12-4-2-6/h6,12H,1-5H2,(H,13,14)
InChIKeyZQJQLXYXDQGTEI-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.60
Rot. Bonds3

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

N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide (PubChem CID 81433080) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
PubChem CID81433080
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
SMILESO=C(NOCC(F)(F)F)C1CCNCC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-15-13-7(14)6-1-3-12-4-2-6/h6,12H,1-5H2,(H,13,14)
InChIKeyZQJQLXYXDQGTEI-UHFFFAOYSA-N
XLogP0.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.60
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 N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide (CID 81433080) is N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide is O=C(NOCC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
The InChIKey is ZQJQLXYXDQGTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)5-15-13-7(14)6-1-3-12-4-2-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide?
N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide has a molecular weight of 226.20 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide is sourced from PubChem (CID 81433080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).