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

C15H19F7N2O3 — CID 3479772

IUPAC4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1C1CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H19F7N2O3/c1-9-8-27-12(26)24(9)10-3-6-23(7-4-10)11(25)2-5-13(16,14(17,18)19)15(20,21)22/h9-10H,2-8H2,1H3
InChIKeyINQUIAOFJYLMPP-UHFFFAOYSA-N
MW408.31 g/mol
LogP3.43
Rot. Bonds4

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

4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3479772) has the molecular formula C15H19F7N2O3 and a molecular weight of 408.31 g/mol. Its IUPAC name is 4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3479772
Molecular FormulaC15H19F7N2O3
Molecular Weight408.31 g/mol
Exact Mass408.13
IUPAC Name4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1C1CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H19F7N2O3/c1-9-8-27-12(26)24(9)10-3-6-23(7-4-10)11(25)2-5-13(16,14(17,18)19)15(20,21)22/h9-10H,2-8H2,1H3
InChIKeyINQUIAOFJYLMPP-UHFFFAOYSA-N
XLogP3.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-(1-Methylethyl)-3-(5,5,5-trifluoro-1-oxopentyl)-2-oxazolidinone
CID 68315009
4-Propan-2-yl-3-(5,5,5-trifluoropentanoyl)-1,3-oxazolidin-2-one
CID 77476426
4,4-Dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3463888
3-[1-(2,2-Difluoroacetyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3669232
4-Propan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3671820
Ethyl 2-oxo-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3682415
3-[1-(2,2-Difluoroacetyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 3706597
4-Butan-2-yl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3734980
5-Ethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3852261
4-Butyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4463399
3-[1-[4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4985309
5-Methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4992918

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3479772) is 4-methyl-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-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC1COC(=O)N1C1CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is INQUIAOFJYLMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F7N2O3/c1-9-8-27-12(26)24(9)10-3-6-23(7-4-10)11(25)2-5-13(16,14(17,18)19)15(20,21)22/h9-10H,2-8H2,1H3.
What are the key properties of 4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 408.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3479772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).