4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide

C15H24F3N3O — CID 138016720

IUPAC4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide
SMILESCCC1CCN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CC1
InChIInChI=1S/C15H24F3N3O/c1-2-11-3-5-21(6-4-11)12(22)20-9-13-7-14(13,10-19-8-13)15(16,17)18/h11,19H,2-10H2,1H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyFXGWWPNSHODKDT-ZIAGYGMSSA-N
MW319.37 g/mol
LogP2.36
Rot. Bonds3

About 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide

4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 138016720) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide
PubChem CID138016720
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Name4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide
SMILESCCC1CCN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CC1
InChIInChI=1S/C15H24F3N3O/c1-2-11-3-5-21(6-4-11)12(22)20-9-13-7-14(13,10-19-8-13)15(16,17)18/h11,19H,2-10H2,1H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyFXGWWPNSHODKDT-ZIAGYGMSSA-N
XLogP2.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

3-hydroxy-3-propan-2-yl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]azetidine-1-carboxamide
CID 138016703
N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-1,3-dihydroisoindole-2-carboxamide
CID 138016722
N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide
CID 138011835
3-piperidin-4-yl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]propanamide
CID 138011792
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
N,4-diethylazepane-1-carboxamide
CID 89043568
4-methyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide
CID 138011837
2-[(4-ethylazepane-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79789315
2-cyclobutyl-N-[[(1S,5R)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]benzamide
CID 138011742
6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65290004
4-methyl-N-[(1-propylcyclopropyl)methyl]piperidine-1-carboxamide
CID 113257177
3-[(4-ethylazepane-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166177

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide (CID 138016720) is 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide is CCC1CCN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CC1.
What is the InChIKey of 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is FXGWWPNSHODKDT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H24F3N3O/c1-2-11-3-5-21(6-4-11)12(22)20-9-13-7-14(13,10-19-8-13)15(16,17)18/h11,19H,2-10H2,1H3,(H,20,22)/t13-,14-/m1/s1.
What are the key properties of 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide?
4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138016720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).