3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C16H19F2N3O3 — CID 24792117

IUPAC3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H19F2N3O3/c17-13-4-3-11(8-14(13)18)19-12-2-1-5-20(9-12)15(22)10-21-6-7-24-16(21)23/h3-4,8,12,19H,1-2,5-7,9-10H2
InChIKeySPESVUNJCVFIKS-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.82
Rot. Bonds4

About 3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 24792117) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID24792117
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCCC(Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H19F2N3O3/c17-13-4-3-11(8-14(13)18)19-12-2-1-5-20(9-12)15(22)10-21-6-7-24-16(21)23/h3-4,8,12,19H,1-2,5-7,9-10H2
InChIKeySPESVUNJCVFIKS-UHFFFAOYSA-N
XLogP1.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 24792117) is 3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCCC(Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of 3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is SPESVUNJCVFIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c17-13-4-3-11(8-14(13)18)19-12-2-1-5-20(9-12)15(22)10-21-6-7-24-16(21)23/h3-4,8,12,19H,1-2,5-7,9-10H2.
What are the key properties of 3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 339.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3,4-difluoroanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24792117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).