N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C9H15F3N2O — CID 60892543

IUPACN-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C9H15F3N2O/c1-14(6-9(10,11)12)8(15)7-2-4-13-5-3-7/h7,13H,2-6H2,1H3
InChIKeyQXTMZPNXZQNBRJ-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.01
Rot. Bonds2

About N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 60892543) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID60892543
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C9H15F3N2O/c1-14(6-9(10,11)12)8(15)7-2-4-13-5-3-7/h7,13H,2-6H2,1H3
InChIKeyQXTMZPNXZQNBRJ-UHFFFAOYSA-N
XLogP1.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 60892543) is N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CN(CC(F)(F)F)C(=O)C1CCNCC1.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is QXTMZPNXZQNBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-14(6-9(10,11)12)8(15)7-2-4-13-5-3-7/h7,13H,2-6H2,1H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 224.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60892543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).