4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid

C22H26N4O5 — CID 175561571

IUPAC4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid
SMILESO=C1CCC(N2CC3(CN(CC4CCN(C(=O)O)CC4)c4ccccc43)C2=O)C(=O)N1
InChIInChI=1S/C22H26N4O5/c27-18-6-5-17(19(28)23-18)26-13-22(20(26)29)12-25(16-4-2-1-3-15(16)22)11-14-7-9-24(10-8-14)21(30)31/h1-4,14,17H,5-13H2,(H,30,31)(H,23,27,28)
InChIKeyJSUXQTSKGNYTOJ-UHFFFAOYSA-N
MW426.47 g/mol
LogP0.78
Rot. Bonds3

About 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid

4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid (PubChem CID 175561571) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid
PubChem CID175561571
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid
SMILESO=C1CCC(N2CC3(CN(CC4CCN(C(=O)O)CC4)c4ccccc43)C2=O)C(=O)N1
InChIInChI=1S/C22H26N4O5/c27-18-6-5-17(19(28)23-18)26-13-22(20(26)29)12-25(16-4-2-1-3-15(16)22)11-14-7-9-24(10-8-14)21(30)31/h1-4,14,17H,5-13H2,(H,30,31)(H,23,27,28)
InChIKeyJSUXQTSKGNYTOJ-UHFFFAOYSA-N
XLogP0.78
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[6-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]piperidine-1-carboxylic acid
CID 175555265
4-[[1-[4-chloro-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidine-1-carboxylic acid
CID 155229383
3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione
CID 177175702
(3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione
CID 170437367
tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177302156
3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione
CID 170625595
4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]phenyl]piperidine-1-carboxylic acid
CID 155195098
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-oxo-1H-isoindole-5-carboxylic acid
CID 167342511
3-[7-(3,4-dihydro-2H-quinoxalin-1-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167722832
N-[1-[4-(2,6-dioxopiperidin-3-yl)-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methyl-4-phenoxypiperidine-1-carboxamide
CID 174364890
2-[4-[4-(2,6-dioxopiperidin-3-yl)-3-oxo-1,4-benzoxazin-8-yl]piperazin-1-yl]acetic acid
CID 177116091
2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione
CID 167740003

Frequently Asked Questions

What is the IUPAC name of 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid (CID 175561571) is 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid is O=C1CCC(N2CC3(CN(CC4CCN(C(=O)O)CC4)c4ccccc43)C2=O)C(=O)N1.
What is the InChIKey of 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid?
The InChIKey is JSUXQTSKGNYTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c27-18-6-5-17(19(28)23-18)26-13-22(20(26)29)12-25(16-4-2-1-3-15(16)22)11-14-7-9-24(10-8-14)21(30)31/h1-4,14,17H,5-13H2,(H,30,31)(H,23,27,28).
What are the key properties of 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid?
4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid has a molecular weight of 426.47 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[2H-indole-3,3'-azetidine]-1-yl]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175561571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).