6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C9H15F3N2O — CID 24694748

IUPAC6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NCC(F)(F)F)CN1
InChIInChI=1S/C9H15F3N2O/c1-6-2-3-7(4-13-6)8(15)14-5-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyRUUQGGKRTVGJRL-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.05
Rot. Bonds2

About 6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 24694748) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID24694748
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCC1CCC(C(=O)NCC(F)(F)F)CN1
InChIInChI=1S/C9H15F3N2O/c1-6-2-3-7(4-13-6)8(15)14-5-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15)
InChIKeyRUUQGGKRTVGJRL-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 24694748) is 6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CC1CCC(C(=O)NCC(F)(F)F)CN1.
What is the InChIKey of 6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is RUUQGGKRTVGJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-6-2-3-7(4-13-6)8(15)14-5-9(10,11)12/h6-7,13H,2-5H2,1H3,(H,14,15).
What are the key properties of 6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24694748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).