2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide

C13H24F3N3O — CID 69468021

IUPAC2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC(C)C(F)(F)F)C1CCCCN1C(N)=O
InChIInChI=1S/C13H24F3N3O/c1-9(13(14,15)16)7-10(8-18-2)11-5-3-4-6-19(11)12(17)20/h9-11,18H,3-8H2,1-2H3,(H2,17,20)/t9?,10-,11?/m0/s1
InChIKeyFVDJKXVZUFBGAU-YVNMAJEFSA-N
MW295.35 g/mol
LogP2.34
Rot. Bonds5

About 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide

2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (PubChem CID 69468021) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
PubChem CID69468021
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC(C)C(F)(F)F)C1CCCCN1C(N)=O
InChIInChI=1S/C13H24F3N3O/c1-9(13(14,15)16)7-10(8-18-2)11-5-3-4-6-19(11)12(17)20/h9-11,18H,3-8H2,1-2H3,(H2,17,20)/t9?,10-,11?/m0/s1
InChIKeyFVDJKXVZUFBGAU-YVNMAJEFSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (CID 69468021) is 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC(C)C(F)(F)F)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The InChIKey is FVDJKXVZUFBGAU-YVNMAJEFSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-9(13(14,15)16)7-10(8-18-2)11-5-3-4-6-19(11)12(17)20/h9-11,18H,3-8H2,1-2H3,(H2,17,20)/t9?,10-,11?/m0/s1.
What are the key properties of 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69468021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).