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

C29H35FN2O2 — CID 25231739

IUPAC[5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)Cc1ccc(OC3CCN(C4CCC4)CC3)cc1C2
InChIInChI=1S/C29H35FN2O2/c30-24-7-4-21(5-8-24)28(33)32-16-12-29(13-17-32)19-22-6-9-27(18-23(22)20-29)34-26-10-14-31(15-11-26)25-2-1-3-25/h4-9,18,25-26H,1-3,10-17,19-20H2
InChIKeyWMPQJRYMTIMREP-UHFFFAOYSA-N
MW462.61 g/mol
LogP5.24
Rot. Bonds4

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

[5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone (PubChem CID 25231739) has the molecular formula C29H35FN2O2 and a molecular weight of 462.61 g/mol. Its IUPAC name is [5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone
PubChem CID25231739
Molecular FormulaC29H35FN2O2
Molecular Weight462.61 g/mol
Exact Mass462.27
IUPAC Name[5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)Cc1ccc(OC3CCN(C4CCC4)CC3)cc1C2
InChIInChI=1S/C29H35FN2O2/c30-24-7-4-21(5-8-24)28(33)32-16-12-29(13-17-32)19-22-6-9-27(18-23(22)20-29)34-26-10-14-31(15-11-26)25-2-1-3-25/h4-9,18,25-26H,1-3,10-17,19-20H2
InChIKeyWMPQJRYMTIMREP-UHFFFAOYSA-N
XLogP5.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.61
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone (CID 25231739) is [5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC2(CC1)Cc1ccc(OC3CCN(C4CCC4)CC3)cc1C2.
What is the InChIKey of [5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone?
The InChIKey is WMPQJRYMTIMREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN2O2/c30-24-7-4-21(5-8-24)28(33)32-16-12-29(13-17-32)19-22-6-9-27(18-23(22)20-29)34-26-10-14-31(15-11-26)25-2-1-3-25/h4-9,18,25-26H,1-3,10-17,19-20H2.
What are the key properties of [5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone?
[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 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-cyclobutylpiperidin-4-yl)oxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 25231739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).