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

C17H20N2O4 — CID 163399289

IUPAC1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
SMILESCC(C)C(=O)N1CCC2(CC1)C(=O)Nc1ccc(C(=O)O)cc12
InChIInChI=1S/C17H20N2O4/c1-10(2)14(20)19-7-5-17(6-8-19)12-9-11(15(21)22)3-4-13(12)18-16(17)23/h3-4,9-10H,5-8H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyVMRYNUAJGOLULV-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.85
Rot. Bonds2

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

1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid (PubChem CID 163399289) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid.

Molecular Properties

Compound Name1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
PubChem CID163399289
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
SMILESCC(C)C(=O)N1CCC2(CC1)C(=O)Nc1ccc(C(=O)O)cc12
InChIInChI=1S/C17H20N2O4/c1-10(2)14(20)19-7-5-17(6-8-19)12-9-11(15(21)22)3-4-13(12)18-16(17)23/h3-4,9-10H,5-8H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyVMRYNUAJGOLULV-UHFFFAOYSA-N
XLogP1.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2'-methyl-1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid
CID 163399256
5-methoxy-1'-(2-methylpropanoyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
CID 134806475
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
methyl 1'-[2-(4-chlorophenyl)acetyl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylate
CID 163399263
(3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203196
N,N-dimethyl-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxamide
CID 97449354
N-cyclopropyl-1'-(cyclopropylmethyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxamide
CID 124554168
(3S)-5-methoxy-1'-(4-methylbenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103698
4'-(2-fluoro-4-methylphenoxy)-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337909
4'-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-carboxylic acid
CID 155337948
1'-(3,4-dichlorobenzoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 67280064
1'-[(2R)-2-hydroxypropanoyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 156901880

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
The IUPAC name of 1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid (CID 163399289) is 1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid.
What is the SMILES notation for 1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
The canonical SMILES for 1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid is CC(C)C(=O)N1CCC2(CC1)C(=O)Nc1ccc(C(=O)O)cc12.
What is the InChIKey of 1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
The InChIKey is VMRYNUAJGOLULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10(2)14(20)19-7-5-17(6-8-19)12-9-11(15(21)22)3-4-13(12)18-16(17)23/h3-4,9-10H,5-8H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of 1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid?
1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpropanoyl)-2-oxospiro[1H-indole-3,4'-piperidine]-5-carboxylic acid is sourced from PubChem (CID 163399289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).