3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione

C17H21N3O2 — CID 177175702

IUPAC3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione
SMILESO=C1CCC(N2CC3(CCNCC3)c3ccccc32)C(=O)N1
InChIInChI=1S/C17H21N3O2/c21-15-6-5-14(16(22)19-15)20-11-17(7-9-18-10-8-17)12-3-1-2-4-13(12)20/h1-4,14,18H,5-11H2,(H,19,21,22)
InChIKeyBSMFVCYFULUEAO-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.93
Rot. Bonds1

About 3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione

3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione (PubChem CID 177175702) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione
PubChem CID177175702
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione
SMILESO=C1CCC(N2CC3(CCNCC3)c3ccccc32)C(=O)N1
InChIInChI=1S/C17H21N3O2/c21-15-6-5-14(16(22)19-15)20-11-17(7-9-18-10-8-17)12-3-1-2-4-13(12)20/h1-4,14,18H,5-11H2,(H,19,21,22)
InChIKeyBSMFVCYFULUEAO-UHFFFAOYSA-N
XLogP0.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 166994674
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxopiperidin-3-yl)-4-(spiro[2H-indole-3,3'-azetidine]-1-ylmethyl)isoindole-1,3-dione
CID 167740003
2-(2,6-dioxopiperidin-3-yl)-5-(4-hydroxypiperidin-4-yl)isoindole-1,3-dione;hydrochloride
CID 170694198
3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione
CID 170625595
3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione
CID 171618731
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
3-[7-[2-(4-methylpiperidin-4-yl)pyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178005802
CID 178005333
CID 178005333
3-indazol-1-ylpiperidine-2,6-dione;hydrochloride
CID 155251099

Frequently Asked Questions

What is the IUPAC name of 3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione?
The IUPAC name of 3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione (CID 177175702) is 3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione?
The canonical SMILES for 3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione is O=C1CCC(N2CC3(CCNCC3)c3ccccc32)C(=O)N1.
What is the InChIKey of 3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione?
The InChIKey is BSMFVCYFULUEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-15-6-5-14(16(22)19-15)20-11-17(7-9-18-10-8-17)12-3-1-2-4-13(12)20/h1-4,14,18H,5-11H2,(H,19,21,22).
What are the key properties of 3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione?
3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione has a molecular weight of 299.37 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione is sourced from PubChem (CID 177175702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).