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

C29H32N2O — CID 11619553

IUPAC2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C29H32N2O/c32-28(26-13-6-5-12-25(26)23-9-2-1-3-10-23)30-19-8-20-31-21-17-29(18-22-31)16-15-24-11-4-7-14-27(24)29/h1-7,9-14H,8,15-22H2,(H,30,32)
InChIKeyMYGHRPCNCRNXCV-UHFFFAOYSA-N
MW424.59 g/mol
LogP5.45
Rot. Bonds6

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

2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide (PubChem CID 11619553) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide.

Molecular Properties

Compound Name2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
PubChem CID11619553
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC Name2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C29H32N2O/c32-28(26-13-6-5-12-25(26)23-9-2-1-3-10-23)30-19-8-20-31-21-17-29(18-22-31)16-15-24-11-4-7-14-27(24)29/h1-7,9-14H,8,15-22H2,(H,30,32)
InChIKeyMYGHRPCNCRNXCV-UHFFFAOYSA-N
XLogP5.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The IUPAC name of 2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide (CID 11619553) is 2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide.
What is the SMILES notation for 2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The canonical SMILES for 2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide is O=C(NCCCN1CCC2(CCc3ccccc32)CC1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
The InChIKey is MYGHRPCNCRNXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O/c32-28(26-13-6-5-12-25(26)23-9-2-1-3-10-23)30-19-8-20-31-21-17-29(18-22-31)16-15-24-11-4-7-14-27(24)29/h1-7,9-14H,8,15-22H2,(H,30,32).
What are the key properties of 2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide?
2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide has a molecular weight of 424.59 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)benzamide is sourced from PubChem (CID 11619553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).