5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one

C25H25N3O3 — CID 134808550

IUPAC5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1OCc1ccccc1)NC(=O)C21CCN(c2ccccn2)CC1
InChIInChI=1S/C25H25N3O3/c1-30-21-15-19-20(16-22(21)31-17-18-7-3-2-4-8-18)27-24(29)25(19)10-13-28(14-11-25)23-9-5-6-12-26-23/h2-9,12,15-16H,10-11,13-14,17H2,1H3,(H,27,29)
InChIKeyQUXFDDQGINNXDR-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.16
Rot. Bonds5

About 5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one

5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134808550) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134808550
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1OCc1ccccc1)NC(=O)C21CCN(c2ccccn2)CC1
InChIInChI=1S/C25H25N3O3/c1-30-21-15-19-20(16-22(21)31-17-18-7-3-2-4-8-18)27-24(29)25(19)10-13-28(14-11-25)23-9-5-6-12-26-23/h2-9,12,15-16H,10-11,13-14,17H2,1H3,(H,27,29)
InChIKeyQUXFDDQGINNXDR-UHFFFAOYSA-N
XLogP4.16
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
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-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one (CID 134808550) is 5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1OCc1ccccc1)NC(=O)C21CCN(c2ccccn2)CC1.
What is the InChIKey of 5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is QUXFDDQGINNXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-30-21-15-19-20(16-22(21)31-17-18-7-3-2-4-8-18)27-24(29)25(19)10-13-28(14-11-25)23-9-5-6-12-26-23/h2-9,12,15-16H,10-11,13-14,17H2,1H3,(H,27,29).
What are the key properties of 5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one?
5-methoxy-6-phenylmethoxy-1'-pyridin-2-ylspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 415.49 g/mol, XLogP of 4.16, 5 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-ylspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134808550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).