(4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one

C32H34F2N2O2 — CID 10142578

IUPAC(4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccc(F)c(F)c2)N1CCCCCCN1CCC2(CC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C32H34F2N2O2/c33-28-14-13-23(21-29(28)34)30-22-38-31(37)36(30)18-8-2-1-7-17-35-19-15-32(16-20-35)26-11-5-3-9-24(26)25-10-4-6-12-27(25)32/h3-6,9-14,21,30H,1-2,7-8,15-20,22H2/t30-/m0/s1
InChIKeyMJOOYXLPHHNZNI-PMERELPUSA-N
MW516.63 g/mol
LogP7.08
Rot. Bonds8

About (4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one

(4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one (PubChem CID 10142578) has the molecular formula C32H34F2N2O2 and a molecular weight of 516.63 g/mol. Its IUPAC name is (4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one
PubChem CID10142578
Molecular FormulaC32H34F2N2O2
Molecular Weight516.63 g/mol
Exact Mass516.26
IUPAC Name(4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccc(F)c(F)c2)N1CCCCCCN1CCC2(CC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C32H34F2N2O2/c33-28-14-13-23(21-29(28)34)30-22-38-31(37)36(30)18-8-2-1-7-17-35-19-15-32(16-20-35)26-11-5-3-9-24(26)25-10-4-6-12-27(25)32/h3-6,9-14,21,30H,1-2,7-8,15-20,22H2/t30-/m0/s1
InChIKeyMJOOYXLPHHNZNI-PMERELPUSA-N
XLogP7.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.63
LogP ≤ 57.08
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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Related Compounds

(4S)-4-(3,4-difluorophenyl)-3-(6-spiro[piperidine-4,9'-thioxanthene]-1-ylhexyl)-1,3-oxazolidin-2-one
CID 10187471
6-chloro-1'-[5-[(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]pentyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 70179739
4-(3,4-difluorophenyl)-2-oxo-N-(3-spiro[piperidine-4,9'-thioxanthene]-1-ylpropyl)-1,3-oxazolidine-3-carboxamide
CID 18740743
(4S)-N-[3-(2'-chlorospiro[piperidine-4,9'-xanthene]-1-yl)propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 10281391
methyl 1-[5-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]pentyl]-4-phenylpiperidine-4-carboxylate
CID 54169201
N-[3-[4-cyano-4-(2,4-dichlorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 22993495
methyl 1-[3-(2-bromospiro[fluorene-9,4'-piperidine]-1'-yl)propylcarbamoyl]-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-1,3-diazinane-5-carboxylate
CID 10233857
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
3-(3,4-difluorophenyl)-N-[3-(4,4-dimethylpiperidin-1-yl)propyl]morpholine-4-carboxamide
CID 22977444
4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 105482803
N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-3-(4-fluoro-3-phosphanylphenyl)morpholine-4-carboxamide
CID 142000825
1-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]-3-[3-[4-(5-methylthiophen-2-yl)piperidin-1-yl]propyl]urea
CID 139908159

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one (CID 10142578) is (4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccc(F)c(F)c2)N1CCCCCCN1CCC2(CC1)c1ccccc1-c1ccccc12.
What is the InChIKey of (4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one?
The InChIKey is MJOOYXLPHHNZNI-PMERELPUSA-N. The full InChI is InChI=1S/C32H34F2N2O2/c33-28-14-13-23(21-29(28)34)30-22-38-31(37)36(30)18-8-2-1-7-17-35-19-15-32(16-20-35)26-11-5-3-9-24(26)25-10-4-6-12-27(25)32/h3-6,9-14,21,30H,1-2,7-8,15-20,22H2/t30-/m0/s1.
What are the key properties of (4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one?
(4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one has a molecular weight of 516.63 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,4-difluorophenyl)-3-(6-spiro[fluorene-9,4'-piperidine]-1'-ylhexyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10142578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).