5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine]

C20H27FN2O — CID 70959431

IUPAC5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN(C[C@@H]3CC4OCCC[C@@H]43)CC1)CN2
InChIInChI=1S/C20H27FN2O/c21-15-3-4-18-17(11-15)20(13-22-18)5-7-23(8-6-20)12-14-10-19-16(14)2-1-9-24-19/h3-4,11,14,16,19,22H,1-2,5-10,12-13H2/t14-,16+,19?/m0/s1
InChIKeyPYINBBDIUMPORP-FSGMKPHLSA-N
MW330.45 g/mol
LogP3.40
Rot. Bonds2

About 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine]

5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 70959431) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID70959431
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESFc1ccc2c(c1)C1(CCN(C[C@@H]3CC4OCCC[C@@H]43)CC1)CN2
InChIInChI=1S/C20H27FN2O/c21-15-3-4-18-17(11-15)20(13-22-18)5-7-23(8-6-20)12-14-10-19-16(14)2-1-9-24-19/h3-4,11,14,16,19,22H,1-2,5-10,12-13H2/t14-,16+,19?/m0/s1
InChIKeyPYINBBDIUMPORP-FSGMKPHLSA-N
XLogP3.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine] (CID 70959431) is 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine] is Fc1ccc2c(c1)C1(CCN(C[C@@H]3CC4OCCC[C@@H]43)CC1)CN2.
What is the InChIKey of 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is PYINBBDIUMPORP-FSGMKPHLSA-N. The full InChI is InChI=1S/C20H27FN2O/c21-15-3-4-18-17(11-15)20(13-22-18)5-7-23(8-6-20)12-14-10-19-16(14)2-1-9-24-19/h3-4,11,14,16,19,22H,1-2,5-10,12-13H2/t14-,16+,19?/m0/s1.
What are the key properties of 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine]?
5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 330.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1'-[[(6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]methyl]spiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 70959431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).