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

C18H18F3N3O3 — CID 24790879

IUPACN-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccon1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)14-3-1-2-12(8-14)10-24-11-13(4-5-16(24)25)17(26)22-9-15-6-7-27-23-15/h1-3,6-8,13H,4-5,9-11H2,(H,22,26)
InChIKeyZECFIWZZQJOPCA-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.75
Rot. Bonds5

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

N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 24790879) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID24790879
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccon1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)14-3-1-2-12(8-14)10-24-11-13(4-5-16(24)25)17(26)22-9-15-6-7-27-23-15/h1-3,6-8,13H,4-5,9-11H2,(H,22,26)
InChIKeyZECFIWZZQJOPCA-UHFFFAOYSA-N
XLogP2.75
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 24790879) is N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccon1)C1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is ZECFIWZZQJOPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c19-18(20,21)14-3-1-2-12(8-14)10-24-11-13(4-5-16(24)25)17(26)22-9-15-6-7-27-23-15/h1-3,6-8,13H,4-5,9-11H2,(H,22,26).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24790879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).