4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide

C17H20F3N3O3 — CID 5198504

IUPAC4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
SMILESCCC1CN(C2CCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)C(=O)O1
InChIInChI=1S/C17H20F3N3O3/c1-2-11-9-23(17(25)26-11)10-5-7-22(8-6-10)16(24)21-13-4-3-12(18)14(19)15(13)20/h3-4,10-11H,2,5-9H2,1H3,(H,21,24)
InChIKeyVMIUELANJJJPKR-UHFFFAOYSA-N
MW371.36 g/mol
LogP3.33
Rot. Bonds3

About 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide

4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide (PubChem CID 5198504) has the molecular formula C17H20F3N3O3 and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
PubChem CID5198504
Molecular FormulaC17H20F3N3O3
Molecular Weight371.36 g/mol
Exact Mass371.15
IUPAC Name4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
SMILESCCC1CN(C2CCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)C(=O)O1
InChIInChI=1S/C17H20F3N3O3/c1-2-11-9-23(17(25)26-11)10-5-7-22(8-6-10)16(24)21-13-4-3-12(18)14(19)15(13)20/h3-4,10-11H,2,5-9H2,1H3,(H,21,24)
InChIKeyVMIUELANJJJPKR-UHFFFAOYSA-N
XLogP3.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide (CID 5198504) is 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide is CCC1CN(C2CCN(C(=O)Nc3ccc(F)c(F)c3F)CC2)C(=O)O1.
What is the InChIKey of 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
The InChIKey is VMIUELANJJJPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O3/c1-2-11-9-23(17(25)26-11)10-5-7-22(8-6-10)16(24)21-13-4-3-12(18)14(19)15(13)20/h3-4,10-11H,2,5-9H2,1H3,(H,21,24).
What are the key properties of 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide?
4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide has a molecular weight of 371.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 5198504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).