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

C28H36N2O — CID 11661648

IUPAC1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C28H36N2O/c31-26(28(14-6-7-15-28)24-10-2-1-3-11-24)29-19-8-20-30-21-17-27(18-22-30)16-13-23-9-4-5-12-25(23)27/h1-5,9-12H,6-8,13-22H2,(H,29,31)
InChIKeyOQTRBKFDOSHNIO-UHFFFAOYSA-N
MW416.61 g/mol
LogP4.98
Rot. Bonds6

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

1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide (PubChem CID 11661648) has the molecular formula C28H36N2O and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide
PubChem CID11661648
Molecular FormulaC28H36N2O
Molecular Weight416.61 g/mol
Exact Mass416.28
IUPAC Name1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C28H36N2O/c31-26(28(14-6-7-15-28)24-10-2-1-3-11-24)29-19-8-20-30-21-17-27(18-22-30)16-13-23-9-4-5-12-25(23)27/h1-5,9-12H,6-8,13-22H2,(H,29,31)
InChIKeyOQTRBKFDOSHNIO-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 54.98
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 1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide (CID 11661648) is 1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide is O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide?
The InChIKey is OQTRBKFDOSHNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O/c31-26(28(14-6-7-15-28)24-10-2-1-3-11-24)29-19-8-20-30-21-17-27(18-22-30)16-13-23-9-4-5-12-25(23)27/h1-5,9-12H,6-8,13-22H2,(H,29,31).
What are the key properties of 1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide?
1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide has a molecular weight of 416.61 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 11661648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).