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

C24H30N2O3 — CID 134809490

IUPAC5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(CCC(C)C)CC1
InChIInChI=1S/C24H30N2O3/c1-17(2)9-12-26-13-10-24(11-14-26)19-15-21(28-3)22(16-20(19)25-23(24)27)29-18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,25,27)
InChIKeyWWSRHMYMNIWVJA-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.82
Rot. Bonds6

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

5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134809490) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134809490
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(CCC(C)C)CC1
InChIInChI=1S/C24H30N2O3/c1-17(2)9-12-26-13-10-24(11-14-26)19-15-21(28-3)22(16-20(19)25-23(24)27)29-18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,25,27)
InChIKeyWWSRHMYMNIWVJA-UHFFFAOYSA-N
XLogP4.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one (CID 134809490) is 5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(CCC(C)C)CC1.
What is the InChIKey of 5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is WWSRHMYMNIWVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-17(2)9-12-26-13-10-24(11-14-26)19-15-21(28-3)22(16-20(19)25-23(24)27)29-18-7-5-4-6-8-18/h4-8,15-17H,9-14H2,1-3H3,(H,25,27).
What are the key properties of 5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 394.52 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134809490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).