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

C30H34N2O4 — CID 134805066

IUPAC1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC3(CCN(C)CC3)c3cc(OC)c(OCc4ccccc4)cc32)cc1
InChIInChI=1S/C30H34N2O4/c1-31-15-13-30(14-16-31)21-32(29(33)17-22-9-11-24(34-2)12-10-22)26-19-28(27(35-3)18-25(26)30)36-20-23-7-5-4-6-8-23/h4-12,18-19H,13-17,20-21H2,1-3H3
InChIKeyKLNUJFNPCSUEMG-UHFFFAOYSA-N
MW486.61 g/mol
LogP4.84
Rot. Bonds7

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

1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone (PubChem CID 134805066) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone
PubChem CID134805066
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC Name1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC3(CCN(C)CC3)c3cc(OC)c(OCc4ccccc4)cc32)cc1
InChIInChI=1S/C30H34N2O4/c1-31-15-13-30(14-16-31)21-32(29(33)17-22-9-11-24(34-2)12-10-22)26-19-28(27(35-3)18-25(26)30)36-20-23-7-5-4-6-8-23/h4-12,18-19H,13-17,20-21H2,1-3H3
InChIKeyKLNUJFNPCSUEMG-UHFFFAOYSA-N
XLogP4.84
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone (CID 134805066) is 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CC3(CCN(C)CC3)c3cc(OC)c(OCc4ccccc4)cc32)cc1.
What is the InChIKey of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is KLNUJFNPCSUEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-31-15-13-30(14-16-31)21-32(29(33)17-22-9-11-24(34-2)12-10-22)26-19-28(27(35-3)18-25(26)30)36-20-23-7-5-4-6-8-23/h4-12,18-19H,13-17,20-21H2,1-3H3.
What are the key properties of 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone?
1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 486.61 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 134805066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).