N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C22H26F3N3O3 — CID 24793961

IUPACN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)on1
InChIInChI=1S/C22H26F3N3O3/c1-14(2)8-18-10-19(31-27-18)11-26-21(30)16-6-7-20(29)28(13-16)12-15-4-3-5-17(9-15)22(23,24)25/h3-5,9-10,14,16H,6-8,11-13H2,1-2H3,(H,26,30)
InChIKeyNHKOZUOROXXAQD-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.95
Rot. Bonds7

About N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24793961) has the molecular formula C22H26F3N3O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24793961
Molecular FormulaC22H26F3N3O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC NameN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)on1
InChIInChI=1S/C22H26F3N3O3/c1-14(2)8-18-10-19(31-27-18)11-26-21(30)16-6-7-20(29)28(13-16)12-15-4-3-5-17(9-15)22(23,24)25/h3-5,9-10,14,16H,6-8,11-13H2,1-2H3,(H,26,30)
InChIKeyNHKOZUOROXXAQD-UHFFFAOYSA-N
XLogP3.95
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-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-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24793961) is N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CC(C)Cc1cc(CNC(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)on1.
What is the InChIKey of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is NHKOZUOROXXAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3/c1-14(2)8-18-10-19(31-27-18)11-26-21(30)16-6-7-20(29)28(13-16)12-15-4-3-5-17(9-15)22(23,24)25/h3-5,9-10,14,16H,6-8,11-13H2,1-2H3,(H,26,30).
What are the key properties of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24793961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).