[(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone

C29H35FN2O2 — CID 69061734

IUPAC[(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1c2ccc(OC3CCN(C4CCC4)CC3)cc2CC12CCNCC2
InChIInChI=1S/C29H35FN2O2/c30-22-6-4-20(5-7-22)28(33)27-26-9-8-25(18-21(26)19-29(27)12-14-31-15-13-29)34-24-10-16-32(17-11-24)23-2-1-3-23/h4-9,18,23-24,27,31H,1-3,10-17,19H2/t27-/m1/s1
InChIKeyMZKJDXPBWMMADR-HHHXNRCGSA-N
MW462.61 g/mol
LogP5.11
Rot. Bonds5

About [(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone

[(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone (PubChem CID 69061734) has the molecular formula C29H35FN2O2 and a molecular weight of 462.61 g/mol. Its IUPAC name is [(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone
PubChem CID69061734
Molecular FormulaC29H35FN2O2
Molecular Weight462.61 g/mol
Exact Mass462.27
IUPAC Name[(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)[C@H]1c2ccc(OC3CCN(C4CCC4)CC3)cc2CC12CCNCC2
InChIInChI=1S/C29H35FN2O2/c30-22-6-4-20(5-7-22)28(33)27-26-9-8-25(18-21(26)19-29(27)12-14-31-15-13-29)34-24-10-16-32(17-11-24)23-2-1-3-23/h4-9,18,23-24,27,31H,1-3,10-17,19H2/t27-/m1/s1
InChIKeyMZKJDXPBWMMADR-HHHXNRCGSA-N
XLogP5.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone (CID 69061734) is [(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)[C@H]1c2ccc(OC3CCN(C4CCC4)CC3)cc2CC12CCNCC2.
What is the InChIKey of [(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is MZKJDXPBWMMADR-HHHXNRCGSA-N. The full InChI is InChI=1S/C29H35FN2O2/c30-22-6-4-20(5-7-22)28(33)27-26-9-8-25(18-21(26)19-29(27)12-14-31-15-13-29)34-24-10-16-32(17-11-24)23-2-1-3-23/h4-9,18,23-24,27,31H,1-3,10-17,19H2/t27-/m1/s1.
What are the key properties of [(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone?
[(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 462.61 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 69061734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).