[3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

C30H35N3O3 — CID 134808825

IUPAC[3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)c1cccc(N(C)C)c1)CC21CCN(C)CC1
InChIInChI=1S/C30H35N3O3/c1-31(2)24-12-8-11-23(17-24)29(34)33-21-30(13-15-32(3)16-14-30)25-18-27(35-4)28(19-26(25)33)36-20-22-9-6-5-7-10-22/h5-12,17-19H,13-16,20-21H2,1-4H3
InChIKeyLYNMBZHGGSRLPA-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.96
Rot. Bonds6

About [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone

[3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (PubChem CID 134808825) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
PubChem CID134808825
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name[3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)c1cccc(N(C)C)c1)CC21CCN(C)CC1
InChIInChI=1S/C30H35N3O3/c1-31(2)24-12-8-11-23(17-24)29(34)33-21-30(13-15-32(3)16-14-30)25-18-27(35-4)28(19-26(25)33)36-20-22-9-6-5-7-10-22/h5-12,17-19H,13-16,20-21H2,1-4H3
InChIKeyLYNMBZHGGSRLPA-UHFFFAOYSA-N
XLogP4.96
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (CID 134808825) is [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is COc1cc2c(cc1OCc1ccccc1)N(C(=O)c1cccc(N(C)C)c1)CC21CCN(C)CC1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The InChIKey is LYNMBZHGGSRLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-31(2)24-12-8-11-23(17-24)29(34)33-21-30(13-15-32(3)16-14-30)25-18-27(35-4)28(19-26(25)33)36-20-22-9-6-5-7-10-22/h5-12,17-19H,13-16,20-21H2,1-4H3.
What are the key properties of [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
[3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone has a molecular weight of 485.63 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is sourced from PubChem (CID 134808825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).