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

C27H34N2O — CID 11632761

IUPACN-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)C1CCc2ccccc2C1
InChIInChI=1S/C27H34N2O/c30-26(24-11-10-21-6-1-2-8-23(21)20-24)28-16-5-17-29-18-14-27(15-19-29)13-12-22-7-3-4-9-25(22)27/h1-4,6-9,24H,5,10-20H2,(H,28,30)
InChIKeyFFVHKELADRCBJW-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.28
Rot. Bonds5

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

N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 11632761) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID11632761
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC NameN-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)C1CCc2ccccc2C1
InChIInChI=1S/C27H34N2O/c30-26(24-11-10-21-6-1-2-8-23(21)20-24)28-16-5-17-29-18-14-27(15-19-29)13-12-22-7-3-4-9-25(22)27/h1-4,6-9,24H,5,10-20H2,(H,28,30)
InChIKeyFFVHKELADRCBJW-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.28
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 N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 11632761) is N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C1CCc2ccccc2C1.
What is the InChIKey of N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is FFVHKELADRCBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c30-26(24-11-10-21-6-1-2-8-23(21)20-24)28-16-5-17-29-18-14-27(15-19-29)13-12-22-7-3-4-9-25(22)27/h1-4,6-9,24H,5,10-20H2,(H,28,30).
What are the key properties of N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 11632761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).