3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide

C11H19F3N2O2 — CID 55260504

IUPAC3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
SMILESCC1(C(=O)NCCOCC(F)(F)F)CCCNC1
InChIInChI=1S/C11H19F3N2O2/c1-10(3-2-4-15-7-10)9(17)16-5-6-18-8-11(12,13)14/h15H,2-8H2,1H3,(H,16,17)
InChIKeyHYRUPZPLALOJLQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds5

About 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide

3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide (PubChem CID 55260504) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
PubChem CID55260504
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
SMILESCC1(C(=O)NCCOCC(F)(F)F)CCCNC1
InChIInChI=1S/C11H19F3N2O2/c1-10(3-2-4-15-7-10)9(17)16-5-6-18-8-11(12,13)14/h15H,2-8H2,1H3,(H,16,17)
InChIKeyHYRUPZPLALOJLQ-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide (CID 55260504) is 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide is CC1(C(=O)NCCOCC(F)(F)F)CCCNC1.
What is the InChIKey of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is HYRUPZPLALOJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(3-2-4-15-7-10)9(17)16-5-6-18-8-11(12,13)14/h15H,2-8H2,1H3,(H,16,17).
What are the key properties of 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide?
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55260504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).