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

C30H34N2O2 — CID 11676849

IUPAC2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1C(O)c1ccccc1
InChIInChI=1S/C30H34N2O2/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/h1-7,9-14,28,33H,8,15-22H2,(H,31,34)
InChIKeyXBDKDYYBHLUNSL-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.87
Rot. Bonds7

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

2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide (PubChem CID 11676849) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
PubChem CID11676849
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1C(O)c1ccccc1
InChIInChI=1S/C30H34N2O2/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/h1-7,9-14,28,33H,8,15-22H2,(H,31,34)
InChIKeyXBDKDYYBHLUNSL-UHFFFAOYSA-N
XLogP4.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.87
H-Bond Donors ≤ 52
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-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide (CID 11676849) is 2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-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-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The InChIKey is XBDKDYYBHLUNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/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/h1-7,9-14,28,33H,8,15-22H2,(H,31,34).
What are the key properties of 2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide has a molecular weight of 454.61 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide is sourced from PubChem (CID 11676849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).