3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C21H27F3N4O3 — CID 24817330

About 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 24817330) has the molecular formula C21H27F3N4O3 and a molecular weight of 440.47 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 24817330
• Molecular Formula: C21H27F3N4O3
• Molecular Weight: 440.47 g/mol
• Exact Mass: 440.20
• IUPAC Name: 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
• SMILES: O=C(CN1CCOC1=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
• InChI: InChI=1S/C21H27F3N4O3/c22-21(23,24)16-3-1-4-17(13-16)25-7-9-26(10-8-25)18-5-2-6-27(14-18)19(29)15-28-11-12-31-20(28)30/h1,3-4,13,18H,2,5-12,14-15H2
• InChIKey: ADMHIWIBPIDTIV-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 56.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.47
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 24817330) is 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.

What is the InChIKey of 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is ADMHIWIBPIDTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O3/c22-21(23,24)16-3-1-4-17(13-16)25-7-9-26(10-8-25)18-5-2-6-27(14-18)19(29)15-28-11-12-31-20(28)30/h1,3-4,13,18H,2,5-12,14-15H2.

What are the key properties of 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?

3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 440.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24817330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).