3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione

C17H19F3N2O3 — CID 21096961

IUPAC3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1CCC1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)13-2-1-3-14(10-13)21-7-4-12(5-8-21)6-9-22-15(23)11-25-16(22)24/h1-3,10,12H,4-9,11H2
InChIKeyXRKPOWPAYZSQPV-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.29
Rot. Bonds4

About 3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione

3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione (PubChem CID 21096961) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione
PubChem CID21096961
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione
SMILESO=C1COC(=O)N1CCC1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H19F3N2O3/c18-17(19,20)13-2-1-3-14(10-13)21-7-4-12(5-8-21)6-9-22-15(23)11-25-16(22)24/h1-3,10,12H,4-9,11H2
InChIKeyXRKPOWPAYZSQPV-UHFFFAOYSA-N
XLogP3.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione (CID 21096961) is 3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione is O=C1COC(=O)N1CCC1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is XRKPOWPAYZSQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c18-17(19,20)13-2-1-3-14(10-13)21-7-4-12(5-8-21)6-9-22-15(23)11-25-16(22)24/h1-3,10,12H,4-9,11H2.
What are the key properties of 3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione?
3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 356.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 21096961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).