1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one

C23H23N3O3 — CID 68811952

IUPAC1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CCC4(CC3)C(=O)Nc3ccccc34)c(C)c2c1
InChIInChI=1S/C23H23N3O3/c1-14-16-13-15(29-2)7-8-18(16)24-20(14)21(27)26-11-9-23(10-12-26)17-5-3-4-6-19(17)25-22(23)28/h3-8,13,24H,9-12H2,1-2H3,(H,25,28)
InChIKeyHIQFHKYBHSCPSO-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.61
Rot. Bonds2

About 1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one

1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 68811952) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID68811952
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1ccc2[nH]c(C(=O)N3CCC4(CC3)C(=O)Nc3ccccc34)c(C)c2c1
InChIInChI=1S/C23H23N3O3/c1-14-16-13-15(29-2)7-8-18(16)24-20(14)21(27)26-11-9-23(10-12-26)17-5-3-4-6-19(17)25-22(23)28/h3-8,13,24H,9-12H2,1-2H3,(H,25,28)
InChIKeyHIQFHKYBHSCPSO-UHFFFAOYSA-N
XLogP3.61
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 68811952) is 1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one is COc1ccc2[nH]c(C(=O)N3CCC4(CC3)C(=O)Nc3ccccc34)c(C)c2c1.
What is the InChIKey of 1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is HIQFHKYBHSCPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-16-13-15(29-2)7-8-18(16)24-20(14)21(27)26-11-9-23(10-12-26)17-5-3-4-6-19(17)25-22(23)28/h3-8,13,24H,9-12H2,1-2H3,(H,25,28).
What are the key properties of 1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-methoxy-3-methyl-1H-indole-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 68811952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).