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

C23H26N2O4 — CID 134806475

IUPAC5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C23H26N2O4/c1-15(2)21(26)25-11-9-23(10-12-25)17-13-19(28-3)20(14-18(17)24-22(23)27)29-16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,24,27)
InChIKeyCXWBGOXZEJNHQZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.96
Rot. Bonds4

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

5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134806475) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134806475
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C23H26N2O4/c1-15(2)21(26)25-11-9-23(10-12-25)17-13-19(28-3)20(14-18(17)24-22(23)27)29-16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,24,27)
InChIKeyCXWBGOXZEJNHQZ-UHFFFAOYSA-N
XLogP3.96
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1'-(3-methylbutyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134809490
1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
CID 163399289
1'-benzyl-6-[3-(dimethylamino)phenoxy]-5-methoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134808860
5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177042
1'-[(2-hydroxyphenyl)methyl]-5-methoxy-6-(pyridin-4-ylmethoxy)spiro[1H-indole-3,4'-piperidine]-2-one
CID 134805477
(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103581
1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176938
(3R)-N-(3,4-dimethoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103649
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
1'-[2-(3-methoxyphenyl)sulfanylacetyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 59862913
5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177054
tert-butyl (3S)-6-amino-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 126455566

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one (CID 134806475) is 5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is CXWBGOXZEJNHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15(2)21(26)25-11-9-23(10-12-25)17-13-19(28-3)20(14-18(17)24-22(23)27)29-16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,24,27).
What are the key properties of 5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 394.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134806475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).