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

C13H24F3N3O — CID 69468023

IUPACN-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC(C)C(F)(F)F)NC(=O)N1CCCCC1
InChIInChI=1S/C13H24F3N3O/c1-10(13(14,15)16)8-11(9-17-2)18-12(20)19-6-4-3-5-7-19/h10-11,17H,3-9H2,1-2H3,(H,18,20)/t10?,11-/m0/s1
InChIKeyHIUSWKPIBVLMOG-DTIOYNMSSA-N
MW295.35 g/mol
LogP2.36
Rot. Bonds5

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

N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (PubChem CID 69468023) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
PubChem CID69468023
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC NameN-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC(C)C(F)(F)F)NC(=O)N1CCCCC1
InChIInChI=1S/C13H24F3N3O/c1-10(13(14,15)16)8-11(9-17-2)18-12(20)19-6-4-3-5-7-19/h10-11,17H,3-9H2,1-2H3,(H,18,20)/t10?,11-/m0/s1
InChIKeyHIUSWKPIBVLMOG-DTIOYNMSSA-N
XLogP2.36
TPSA44.37 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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(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 N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide (CID 69468023) is N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(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)NC(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
The InChIKey is HIUSWKPIBVLMOG-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-10(13(14,15)16)8-11(9-17-2)18-12(20)19-6-4-3-5-7-19/h10-11,17H,3-9H2,1-2H3,(H,18,20)/t10?,11-/m0/s1.
What are the key properties of N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide?
N-[(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 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69468023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).