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

C29H32N2O4 — CID 134805427

IUPAC(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)c1ccccc1OC)CC21CCN(C)CC1
InChIInChI=1S/C29H32N2O4/c1-30-15-13-29(14-16-30)20-31(28(32)22-11-7-8-12-25(22)33-2)24-18-27(26(34-3)17-23(24)29)35-19-21-9-5-4-6-10-21/h4-12,17-18H,13-16,19-20H2,1-3H3
InChIKeyGZLJOWFLFUAJQA-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.91
Rot. Bonds6

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

(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 134805427) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is (5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone
PubChem CID134805427
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)c1ccccc1OC)CC21CCN(C)CC1
InChIInChI=1S/C29H32N2O4/c1-30-15-13-29(14-16-30)20-31(28(32)22-11-7-8-12-25(22)33-2)24-18-27(26(34-3)17-23(24)29)35-19-21-9-5-4-6-10-21/h4-12,17-18H,13-16,19-20H2,1-3H3
InChIKeyGZLJOWFLFUAJQA-UHFFFAOYSA-N
XLogP4.91
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)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 (5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone (CID 134805427) is (5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone is COc1cc2c(cc1OCc1ccccc1)N(C(=O)c1ccccc1OC)CC21CCN(C)CC1.
What is the InChIKey of (5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is GZLJOWFLFUAJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-30-15-13-29(14-16-30)20-31(28(32)22-11-7-8-12-25(22)33-2)24-18-27(26(34-3)17-23(24)29)35-19-21-9-5-4-6-10-21/h4-12,17-18H,13-16,19-20H2,1-3H3.
What are the key properties of (5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone?
(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 472.59 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 134805427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).