3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide

C29H32N2O2 — CID 11561261

IUPAC3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C29H32N2O2/c32-28(24-9-6-12-26(22-24)33-25-10-2-1-3-11-25)30-18-7-19-31-20-16-29(17-21-31)15-14-23-8-4-5-13-27(23)29/h1-6,8-13,22H,7,14-21H2,(H,30,32)
InChIKeyKSNLIWRBJFSDFJ-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.58
Rot. Bonds7

About 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide

3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide (PubChem CID 11561261) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide.

Molecular Properties

Compound Name3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
PubChem CID11561261
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C29H32N2O2/c32-28(24-9-6-12-26(22-24)33-25-10-2-1-3-11-25)30-18-7-19-31-20-16-29(17-21-31)15-14-23-8-4-5-13-27(23)29/h1-6,8-13,22H,7,14-21H2,(H,30,32)
InChIKeyKSNLIWRBJFSDFJ-UHFFFAOYSA-N
XLogP5.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.58
H-Bond Donors ≤ 51
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 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The IUPAC name of 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide (CID 11561261) is 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide.
What is the SMILES notation for 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The canonical SMILES for 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide is O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The InChIKey is KSNLIWRBJFSDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c32-28(24-9-6-12-26(22-24)33-25-10-2-1-3-11-25)30-18-7-19-31-20-16-29(17-21-31)15-14-23-8-4-5-13-27(23)29/h1-6,8-13,22H,7,14-21H2,(H,30,32).
What are the key properties of 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide has a molecular weight of 440.59 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide is sourced from PubChem (CID 11561261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).