5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one

C25H30F2N2O3 — CID 14698760

IUPAC5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1CC(CCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)OC1=O
InChIInChI=1S/C25H30F2N2O3/c1-2-29-17-23(32-24(29)30)13-16-28-14-11-20(12-15-28)25(31,18-3-7-21(26)8-4-18)19-5-9-22(27)10-6-19/h3-10,20,23,31H,2,11-17H2,1H3
InChIKeyXJSNDEWDNKPYQQ-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.14
Rot. Bonds7

About 5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one

5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one (PubChem CID 14698760) has the molecular formula C25H30F2N2O3 and a molecular weight of 444.52 g/mol. Its IUPAC name is 5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one
PubChem CID14698760
Molecular FormulaC25H30F2N2O3
Molecular Weight444.52 g/mol
Exact Mass444.22
IUPAC Name5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one
SMILESCCN1CC(CCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)OC1=O
InChIInChI=1S/C25H30F2N2O3/c1-2-29-17-23(32-24(29)30)13-16-28-14-11-20(12-15-28)25(31,18-3-7-21(26)8-4-18)19-5-9-22(27)10-6-19/h3-10,20,23,31H,2,11-17H2,1H3
InChIKeyXJSNDEWDNKPYQQ-UHFFFAOYSA-N
XLogP4.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one (CID 14698760) is 5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one is CCN1CC(CCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)OC1=O.
What is the InChIKey of 5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one?
The InChIKey is XJSNDEWDNKPYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N2O3/c1-2-29-17-23(32-24(29)30)13-16-28-14-11-20(12-15-28)25(31,18-3-7-21(26)8-4-18)19-5-9-22(27)10-6-19/h3-10,20,23,31H,2,11-17H2,1H3.
What are the key properties of 5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one?
5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one has a molecular weight of 444.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 14698760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).