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

C15H19F7N2O3 — CID 4992918

IUPAC5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1CN(C2CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC2)C(=O)O1
InChIInChI=1S/C15H19F7N2O3/c1-9-8-24(12(26)27-9)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
InChIKeyDXTJNWVZEFDUSX-UHFFFAOYSA-N
MW408.31 g/mol
LogP3.43
Rot. Bonds4

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

5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 4992918) has the molecular formula C15H19F7N2O3 and a molecular weight of 408.31 g/mol. Its IUPAC name is 5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID4992918
Molecular FormulaC15H19F7N2O3
Molecular Weight408.31 g/mol
Exact Mass408.13
IUPAC Name5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1CN(C2CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC2)C(=O)O1
InChIInChI=1S/C15H19F7N2O3/c1-9-8-24(12(26)27-9)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
InChIKeyDXTJNWVZEFDUSX-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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 4992918) is 5-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 5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC1CN(C2CCN(C(=O)CCC(F)(C(F)(F)F)C(F)(F)F)CC2)C(=O)O1.
What is the InChIKey of 5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is DXTJNWVZEFDUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F7N2O3/c1-9-8-24(12(26)27-9)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 5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
5-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 5-methyl-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 4992918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).