4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one

C31H32F2N2O2 — CID 22463984

IUPAC4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(F)c(F)c2)N1CCCCCN1CCC2(CC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C31H32F2N2O2/c32-27-13-12-22(20-28(27)33)29-21-37-30(36)35(29)17-7-1-6-16-34-18-14-31(15-19-34)25-10-4-2-8-23(25)24-9-3-5-11-26(24)31/h2-5,8-13,20,29H,1,6-7,14-19,21H2
InChIKeyMJGGXSPYGDDWGL-UHFFFAOYSA-N
MW502.61 g/mol
LogP6.69
Rot. Bonds7

About 4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one

4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one (PubChem CID 22463984) has the molecular formula C31H32F2N2O2 and a molecular weight of 502.61 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one
PubChem CID22463984
Molecular FormulaC31H32F2N2O2
Molecular Weight502.61 g/mol
Exact Mass502.24
IUPAC Name4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(F)c(F)c2)N1CCCCCN1CCC2(CC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C31H32F2N2O2/c32-27-13-12-22(20-28(27)33)29-21-37-30(36)35(29)17-7-1-6-16-34-18-14-31(15-19-34)25-10-4-2-8-23(25)24-9-3-5-11-26(24)31/h2-5,8-13,20,29H,1,6-7,14-19,21H2
InChIKeyMJGGXSPYGDDWGL-UHFFFAOYSA-N
XLogP6.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one (CID 22463984) is 4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one is O=C1OCC(c2ccc(F)c(F)c2)N1CCCCCN1CCC2(CC1)c1ccccc1-c1ccccc12.
What is the InChIKey of 4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one?
The InChIKey is MJGGXSPYGDDWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F2N2O2/c32-27-13-12-22(20-28(27)33)29-21-37-30(36)35(29)17-7-1-6-16-34-18-14-31(15-19-34)25-10-4-2-8-23(25)24-9-3-5-11-26(24)31/h2-5,8-13,20,29H,1,6-7,14-19,21H2.
What are the key properties of 4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one?
4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one has a molecular weight of 502.61 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-3-(5-spiro[fluorene-9,4'-piperidine]-1'-ylpentyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22463984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).