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

C30H32N2O2 — CID 11619363

IUPAC2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C30H32N2O2/c33-28(24-10-2-1-3-11-24)25-12-5-6-13-26(25)29(34)31-19-8-20-32-21-17-30(18-22-32)16-15-23-9-4-7-14-27(23)30/h1-7,9-14H,8,15-22H2,(H,31,34)
InChIKeyLQELPESMSZISMU-UHFFFAOYSA-N
MW452.60 g/mol
LogP5.02
Rot. Bonds7

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

2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide (PubChem CID 11619363) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide.

Molecular Properties

Compound Name2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
PubChem CID11619363
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC Name2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C30H32N2O2/c33-28(24-10-2-1-3-11-24)25-12-5-6-13-26(25)29(34)31-19-8-20-32-21-17-30(18-22-32)16-15-23-9-4-7-14-27(23)30/h1-7,9-14H,8,15-22H2,(H,31,34)
InChIKeyLQELPESMSZISMU-UHFFFAOYSA-N
XLogP5.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.02
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 2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The IUPAC name of 2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide (CID 11619363) is 2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide.
What is the SMILES notation for 2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The canonical SMILES for 2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide is O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The InChIKey is LQELPESMSZISMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O2/c33-28(24-10-2-1-3-11-24)25-12-5-6-13-26(25)29(34)31-19-8-20-32-21-17-30(18-22-32)16-15-23-9-4-7-14-27(23)30/h1-7,9-14H,8,15-22H2,(H,31,34).
What are the key properties of 2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide has a molecular weight of 452.60 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide is sourced from PubChem (CID 11619363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).