5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one

C25H26N4O3 — CID 134807908

IUPAC5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1OCc1ccccc1)NC(=O)C21CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C25H26N4O3/c1-17-26-11-8-23(27-17)29-12-9-25(10-13-29)19-14-21(31-2)22(15-20(19)28-24(25)30)32-16-18-6-4-3-5-7-18/h3-8,11,14-15H,9-10,12-13,16H2,1-2H3,(H,28,30)
InChIKeyWJFOYVDXEKAUHH-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.86
Rot. Bonds5

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

5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134807908) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134807908
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1OCc1ccccc1)NC(=O)C21CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C25H26N4O3/c1-17-26-11-8-23(27-17)29-12-9-25(10-13-29)19-14-21(31-2)22(15-20(19)28-24(25)30)32-16-18-6-4-3-5-7-18/h3-8,11,14-15H,9-10,12-13,16H2,1-2H3,(H,28,30)
InChIKeyWJFOYVDXEKAUHH-UHFFFAOYSA-N
XLogP3.86
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one (CID 134807908) is 5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1OCc1ccccc1)NC(=O)C21CCN(c2ccnc(C)n2)CC1.
What is the InChIKey of 5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is WJFOYVDXEKAUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17-26-11-8-23(27-17)29-12-9-25(10-13-29)19-14-21(31-2)22(15-20(19)28-24(25)30)32-16-18-6-4-3-5-7-18/h3-8,11,14-15H,9-10,12-13,16H2,1-2H3,(H,28,30).
What are the key properties of 5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one?
5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 430.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-(2-methylpyrimidin-4-yl)-6-phenylmethoxyspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134807908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).