5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C16H21F7N2O3 — CID 3852261

IUPAC5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC2)C(=O)O1
InChIInChI=1S/C16H21F7N2O3/c1-2-11-9-25(13(27)28-11)10-4-7-24(8-5-10)12(26)3-6-14(17,15(18,19)20)16(21,22)23/h10-11H,2-9H2,1H3
InChIKeyOBGUQUHAAMVJKV-UHFFFAOYSA-N
MW422.34 g/mol
LogP3.82
Rot. Bonds5

About 5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3852261) has the molecular formula C16H21F7N2O3 and a molecular weight of 422.34 g/mol. Its IUPAC name is 5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3852261
Molecular FormulaC16H21F7N2O3
Molecular Weight422.34 g/mol
Exact Mass422.14
IUPAC Name5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC2)C(=O)O1
InChIInChI=1S/C16H21F7N2O3/c1-2-11-9-25(13(27)28-11)10-4-7-24(8-5-10)12(26)3-6-14(17,15(18,19)20)16(21,22)23/h10-11H,2-9H2,1H3
InChIKeyOBGUQUHAAMVJKV-UHFFFAOYSA-N
XLogP3.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3852261) is 5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CCC1CN(C2CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC2)C(=O)O1.
What is the InChIKey of 5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is OBGUQUHAAMVJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F7N2O3/c1-2-11-9-25(13(27)28-11)10-4-7-24(8-5-10)12(26)3-6-14(17,15(18,19)20)16(21,22)23/h10-11H,2-9H2,1H3.
What are the key properties of 5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 422.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3852261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).