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

C30H31N3O3 — CID 134806785

IUPAC1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)c1c[nH]c3ccccc13)CC21CCN(C)CC1
InChIInChI=1S/C30H31N3O3/c1-32-14-12-30(13-15-32)20-33(29(34)23-18-31-25-11-7-6-10-22(23)25)26-17-28(27(35-2)16-24(26)30)36-19-21-8-4-3-5-9-21/h3-11,16-18,31H,12-15,19-20H2,1-2H3
InChIKeyCEGGITWFDFCXRQ-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.38
Rot. Bonds5

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

1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (PubChem CID 134806785) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.

Molecular Properties

Compound Name1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
PubChem CID134806785
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
SMILESCOc1cc2c(cc1OCc1ccccc1)N(C(=O)c1c[nH]c3ccccc13)CC21CCN(C)CC1
InChIInChI=1S/C30H31N3O3/c1-32-14-12-30(13-15-32)20-33(29(34)23-18-31-25-11-7-6-10-22(23)25)26-17-28(27(35-2)16-24(26)30)36-19-21-8-4-3-5-9-21/h3-11,16-18,31H,12-15,19-20H2,1-2H3
InChIKeyCEGGITWFDFCXRQ-UHFFFAOYSA-N
XLogP5.38
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The IUPAC name of 1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone (CID 134806785) is 1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone.
What is the SMILES notation for 1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The canonical SMILES for 1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is COc1cc2c(cc1OCc1ccccc1)N(C(=O)c1c[nH]c3ccccc13)CC21CCN(C)CC1.
What is the InChIKey of 1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
The InChIKey is CEGGITWFDFCXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-32-14-12-30(13-15-32)20-33(29(34)23-18-31-25-11-7-6-10-22(23)25)26-17-28(27(35-2)16-24(26)30)36-19-21-8-4-3-5-9-21/h3-11,16-18,31H,12-15,19-20H2,1-2H3.
What are the key properties of 1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone?
1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone has a molecular weight of 481.60 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-(5-methoxy-1'-methyl-6-phenylmethoxyspiro[2H-indole-3,4'-piperidine]-1-yl)methanone is sourced from PubChem (CID 134806785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).