2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid

C18H22N2O4 — CID 163399256

IUPAC2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
SMILESCC(C)C(=O)N1CCC2(CC1C)C(=O)Nc1ccc(C(=O)O)cc12
InChIInChI=1S/C18H22N2O4/c1-10(2)15(21)20-7-6-18(9-11(20)3)13-8-12(16(22)23)4-5-14(13)19-17(18)24/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyCIJSOTNIORAJLI-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.24
Rot. Bonds2

About 2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid

2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid (PubChem CID 163399256) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid.

Molecular Properties

Compound Name2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
PubChem CID163399256
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
SMILESCC(C)C(=O)N1CCC2(CC1C)C(=O)Nc1ccc(C(=O)O)cc12
InChIInChI=1S/C18H22N2O4/c1-10(2)15(21)20-7-6-18(9-11(20)3)13-8-12(16(22)23)4-5-14(13)19-17(18)24/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyCIJSOTNIORAJLI-UHFFFAOYSA-N
XLogP2.24
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
CID 163399289
(2'S,3R)-2'-(4-methylphenyl)-2-oxospiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979195
4'-(2-fluoro-4-methylphenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337909
(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979078
N-cyclopropyl-1'-(cyclopropylmethyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide
CID 124554168
1'-(2,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid;methyl 1'-(2,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylate
CID 175778215
4'-(2,3-difluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337882
(3S)-5-methoxy-1'-(4-methylbenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103698
4'-(2-chloro-5-fluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337922
4'-(2-chloro-4-fluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337911
4'-(3-chloro-4-fluorophenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337908
5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134806475

Frequently Asked Questions

What is the IUPAC name of 2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
The IUPAC name of 2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid (CID 163399256) is 2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid.
What is the SMILES notation for 2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
The canonical SMILES for 2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid is CC(C)C(=O)N1CCC2(CC1C)C(=O)Nc1ccc(C(=O)O)cc12.
What is the InChIKey of 2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
The InChIKey is CIJSOTNIORAJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-10(2)15(21)20-7-6-18(9-11(20)3)13-8-12(16(22)23)4-5-14(13)19-17(18)24/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid is sourced from PubChem (CID 163399256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).