5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one

C26H27N3O4 — CID 134807927

IUPAC5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cncc(CN2CCC3(CC2)C(=O)Nc2cc(Oc4ccccc4)c(OC)cc23)c1
InChIInChI=1S/C26H27N3O4/c1-31-20-12-18(15-27-16-20)17-29-10-8-26(9-11-29)21-13-23(32-2)24(14-22(21)28-25(26)30)33-19-6-4-3-5-7-19/h3-7,12-16H,8-11,17H2,1-2H3,(H,28,30)
InChIKeyOIYSLRIVQMWCGM-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.38
Rot. Bonds6

About 5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one

5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134807927) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134807927
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cncc(CN2CCC3(CC2)C(=O)Nc2cc(Oc4ccccc4)c(OC)cc23)c1
InChIInChI=1S/C26H27N3O4/c1-31-20-12-18(15-27-16-20)17-29-10-8-26(9-11-29)21-13-23(32-2)24(14-22(21)28-25(26)30)33-19-6-4-3-5-7-19/h3-7,12-16H,8-11,17H2,1-2H3,(H,28,30)
InChIKeyOIYSLRIVQMWCGM-UHFFFAOYSA-N
XLogP4.38
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one (CID 134807927) is 5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one is COc1cncc(CN2CCC3(CC2)C(=O)Nc2cc(Oc4ccccc4)c(OC)cc23)c1.
What is the InChIKey of 5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is OIYSLRIVQMWCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-31-20-12-18(15-27-16-20)17-29-10-8-26(9-11-29)21-13-23(32-2)24(14-22(21)28-25(26)30)33-19-6-4-3-5-7-19/h3-7,12-16H,8-11,17H2,1-2H3,(H,28,30).
What are the key properties of 5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 445.52 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-[(5-methoxy-3-pyridinyl)methyl]-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134807927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).