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

C11H19F3N2O2 — CID 113368572

IUPAC2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide
SMILESCC1(C(=O)NCCOCC(F)(F)F)CCCCN1
InChIInChI=1S/C11H19F3N2O2/c1-10(4-2-3-5-16-10)9(17)15-6-7-18-8-11(12,13)14/h16H,2-8H2,1H3,(H,15,17)
InChIKeyWKFUXXMJFQRLRU-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.21
Rot. Bonds5

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

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide (PubChem CID 113368572) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide
PubChem CID113368572
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide
SMILESCC1(C(=O)NCCOCC(F)(F)F)CCCCN1
InChIInChI=1S/C11H19F3N2O2/c1-10(4-2-3-5-16-10)9(17)15-6-7-18-8-11(12,13)14/h16H,2-8H2,1H3,(H,15,17)
InChIKeyWKFUXXMJFQRLRU-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide?
The IUPAC name of 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide (CID 113368572) is 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide is CC1(C(=O)NCCOCC(F)(F)F)CCCCN1.
What is the InChIKey of 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide?
The InChIKey is WKFUXXMJFQRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(4-2-3-5-16-10)9(17)15-6-7-18-8-11(12,13)14/h16H,2-8H2,1H3,(H,15,17).
What are the key properties of 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide?
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 113368572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).