1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one

C20H18N2O — CID 162368687

IUPAC1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one
SMILESC=C1C(=O)N(Cc2ccccc2)CCC12C=Nc1ccccc12
InChIInChI=1S/C20H18N2O/c1-15-19(23)22(13-16-7-3-2-4-8-16)12-11-20(15)14-21-18-10-6-5-9-17(18)20/h2-10,14H,1,11-13H2
InChIKeyZTGVOIRNLBTDKZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.63
Rot. Bonds2

About 1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one

1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one (PubChem CID 162368687) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one.

Molecular Properties

Compound Name1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one
PubChem CID162368687
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one
SMILESC=C1C(=O)N(Cc2ccccc2)CCC12C=Nc1ccccc12
InChIInChI=1S/C20H18N2O/c1-15-19(23)22(13-16-7-3-2-4-8-16)12-11-20(15)14-21-18-10-6-5-9-17(18)20/h2-10,14H,1,11-13H2
InChIKeyZTGVOIRNLBTDKZ-UHFFFAOYSA-N
XLogP3.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one?
The IUPAC name of 1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one (CID 162368687) is 1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one.
What is the SMILES notation for 1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one?
The canonical SMILES for 1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one is C=C1C(=O)N(Cc2ccccc2)CCC12C=Nc1ccccc12.
What is the InChIKey of 1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one?
The InChIKey is ZTGVOIRNLBTDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15-19(23)22(13-16-7-3-2-4-8-16)12-11-20(15)14-21-18-10-6-5-9-17(18)20/h2-10,14H,1,11-13H2.
What are the key properties of 1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one?
1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one has a molecular weight of 302.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-3'-methylidenespiro[indole-3,4'-piperidine]-2'-one is sourced from PubChem (CID 162368687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).