5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one

C26H27N3O3 — CID 134808881

IUPAC5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1OCc1ccccc1)NC(=O)C21CCN(Cc2ccccn2)CC1
InChIInChI=1S/C26H27N3O3/c1-31-23-15-21-22(16-24(23)32-18-19-7-3-2-4-8-19)28-25(30)26(21)10-13-29(14-11-26)17-20-9-5-6-12-27-20/h2-9,12,15-16H,10-11,13-14,17-18H2,1H3,(H,28,30)
InChIKeyLFAQTSAEIRRGBO-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.16
Rot. Bonds6

About 5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one

5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134808881) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134808881
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1OCc1ccccc1)NC(=O)C21CCN(Cc2ccccn2)CC1
InChIInChI=1S/C26H27N3O3/c1-31-23-15-21-22(16-24(23)32-18-19-7-3-2-4-8-19)28-25(30)26(21)10-13-29(14-11-26)17-20-9-5-6-12-27-20/h2-9,12,15-16H,10-11,13-14,17-18H2,1H3,(H,28,30)
InChIKeyLFAQTSAEIRRGBO-UHFFFAOYSA-N
XLogP4.16
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 134808881) is 5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1OCc1ccccc1)NC(=O)C21CCN(Cc2ccccn2)CC1.
What is the InChIKey of 5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is LFAQTSAEIRRGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-31-23-15-21-22(16-24(23)32-18-19-7-3-2-4-8-19)28-25(30)26(21)10-13-29(14-11-26)17-20-9-5-6-12-27-20/h2-9,12,15-16H,10-11,13-14,17-18H2,1H3,(H,28,30).
What are the key properties of 5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 429.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-phenylmethoxy-1'-(pyridin-2-ylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134808881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).