(6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone

C22H23N3O — CID 167830899

IUPAC(6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
SMILESCc1ccc2cc(C(=O)N3CCC4(CC3)CNc3ccccc34)[nH]c2c1
InChIInChI=1S/C22H23N3O/c1-15-6-7-16-13-20(24-19(16)12-15)21(26)25-10-8-22(9-11-25)14-23-18-5-3-2-4-17(18)22/h2-7,12-13,23-24H,8-11,14H2,1H3
InChIKeyREFFHIXNSXDNJH-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.08
Rot. Bonds1

About (6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone

(6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone (PubChem CID 167830899) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
PubChem CID167830899
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone
SMILESCc1ccc2cc(C(=O)N3CCC4(CC3)CNc3ccccc34)[nH]c2c1
InChIInChI=1S/C22H23N3O/c1-15-6-7-16-13-20(24-19(16)12-15)21(26)25-10-8-22(9-11-25)14-23-18-5-3-2-4-17(18)22/h2-7,12-13,23-24H,8-11,14H2,1H3
InChIKeyREFFHIXNSXDNJH-UHFFFAOYSA-N
XLogP4.08
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone (CID 167830899) is (6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone is Cc1ccc2cc(C(=O)N3CCC4(CC3)CNc3ccccc34)[nH]c2c1.
What is the InChIKey of (6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is REFFHIXNSXDNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-6-7-16-13-20(24-19(16)12-15)21(26)25-10-8-22(9-11-25)14-23-18-5-3-2-4-17(18)22/h2-7,12-13,23-24H,8-11,14H2,1H3.
What are the key properties of (6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone?
(6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 345.45 g/mol, XLogP of 4.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-indol-2-yl)-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 167830899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).