4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide

C9H15F3N2O2 — CID 112700788

IUPAC4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NOCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c1-7-2-4-14(5-3-7)8(15)13-16-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyTXLBFVLTKDSQKN-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.92
Rot. Bonds2

About 4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide

4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide (PubChem CID 112700788) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
PubChem CID112700788
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NOCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c1-7-2-4-14(5-3-7)8(15)13-16-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15)
InChIKeyTXLBFVLTKDSQKN-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide (CID 112700788) is 4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide is CC1CCN(C(=O)NOCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
The InChIKey is TXLBFVLTKDSQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-7-2-4-14(5-3-7)8(15)13-16-6-9(10,11)12/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide?
4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 112700788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).