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

C18H25F7N2O3 — CID 3734980

IUPAC4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1C1CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C18H25F7N2O3/c1-3-11(2)13-10-30-15(29)27(13)12-5-8-26(9-6-12)14(28)4-7-16(19,17(20,21)22)18(23,24)25/h11-13H,3-10H2,1-2H3
InChIKeyQLNLVPCAYPOXML-UHFFFAOYSA-N
MW450.40 g/mol
LogP4.46
Rot. Bonds6

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

4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3734980) has the molecular formula C18H25F7N2O3 and a molecular weight of 450.40 g/mol. Its IUPAC name is 4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3734980
Molecular FormulaC18H25F7N2O3
Molecular Weight450.40 g/mol
Exact Mass450.18
IUPAC Name4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC(C)C1COC(=O)N1C1CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C18H25F7N2O3/c1-3-11(2)13-10-30-15(29)27(13)12-5-8-26(9-6-12)14(28)4-7-16(19,17(20,21)22)18(23,24)25/h11-13H,3-10H2,1-2H3
InChIKeyQLNLVPCAYPOXML-UHFFFAOYSA-N
XLogP4.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3734980) is 4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CCC(C)C1COC(=O)N1C1CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is QLNLVPCAYPOXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F7N2O3/c1-3-11(2)13-10-30-15(29)27(13)12-5-8-26(9-6-12)14(28)4-7-16(19,17(20,21)22)18(23,24)25/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 450.40 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3734980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).