1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile

C24H26N2O — CID 70916504

IUPAC1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile
SMILESCc1ccccc1CCN1CCCCC12CCc1cc(C#N)ccc1C2=O
InChIInChI=1S/C24H26N2O/c1-18-6-2-3-7-20(18)11-15-26-14-5-4-12-24(26)13-10-21-16-19(17-25)8-9-22(21)23(24)27/h2-3,6-9,16H,4-5,10-15H2,1H3
InChIKeyLSQJLQZSJWMISS-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.46
Rot. Bonds3

About 1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile

1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile (PubChem CID 70916504) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile.

Molecular Properties

Compound Name1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile
PubChem CID70916504
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile
SMILESCc1ccccc1CCN1CCCCC12CCc1cc(C#N)ccc1C2=O
InChIInChI=1S/C24H26N2O/c1-18-6-2-3-7-20(18)11-15-26-14-5-4-12-24(26)13-10-21-16-19(17-25)8-9-22(21)23(24)27/h2-3,6-9,16H,4-5,10-15H2,1H3
InChIKeyLSQJLQZSJWMISS-UHFFFAOYSA-N
XLogP4.46
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile?
The IUPAC name of 1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile (CID 70916504) is 1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile.
What is the SMILES notation for 1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile?
The canonical SMILES for 1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile is Cc1ccccc1CCN1CCCCC12CCc1cc(C#N)ccc1C2=O.
What is the InChIKey of 1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile?
The InChIKey is LSQJLQZSJWMISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-18-6-2-3-7-20(18)11-15-26-14-5-4-12-24(26)13-10-21-16-19(17-25)8-9-22(21)23(24)27/h2-3,6-9,16H,4-5,10-15H2,1H3.
What are the key properties of 1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile?
1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile has a molecular weight of 358.49 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2-methylphenyl)ethyl]-5-oxospiro[7,8-dihydronaphthalene-6,2'-piperidine]-2-carbonitrile is sourced from PubChem (CID 70916504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).