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

C16H21F7N2O3 — CID 3463888

IUPAC4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C1CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C16H21F7N2O3/c1-13(2)9-28-12(27)25(13)10-4-7-24(8-5-10)11(26)3-6-14(17,15(18,19)20)16(21,22)23/h10H,3-9H2,1-2H3
InChIKeyKZAABQMXYSBYEL-UHFFFAOYSA-N
MW422.34 g/mol
LogP3.82
Rot. Bonds4

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

4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3463888) has the molecular formula C16H21F7N2O3 and a molecular weight of 422.34 g/mol. Its IUPAC name is 4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3463888
Molecular FormulaC16H21F7N2O3
Molecular Weight422.34 g/mol
Exact Mass422.14
IUPAC Name4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1C1CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C16H21F7N2O3/c1-13(2)9-28-12(27)25(13)10-4-7-24(8-5-10)11(26)3-6-14(17,15(18,19)20)16(21,22)23/h10H,3-9H2,1-2H3
InChIKeyKZAABQMXYSBYEL-UHFFFAOYSA-N
XLogP3.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 4,4-dimethyl-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

4-Methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3479772
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
Methyl 2-oxo-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 5015332
methyl (4S)-2-oxo-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74226026

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3463888) is 4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1C1CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is KZAABQMXYSBYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F7N2O3/c1-13(2)9-28-12(27)25(13)10-4-7-24(8-5-10)11(26)3-6-14(17,15(18,19)20)16(21,22)23/h10H,3-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4,4-dimethyl-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, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3463888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).