3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione

C21H26N4O4 — CID 171618726

IUPAC3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)C3(CCOCC3)c3ccc(N4CCNCC4)cc32)C(=O)N1
InChIInChI=1S/C21H26N4O4/c26-18-4-3-16(19(27)23-18)25-17-13-14(24-9-7-22-8-10-24)1-2-15(17)21(20(25)28)5-11-29-12-6-21/h1-2,13,16,22H,3-12H2,(H,23,26,27)
InChIKeyWAEFNXHCUVGGIC-UHFFFAOYSA-N
MW398.46 g/mol
LogP0.30
Rot. Bonds2

About 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione

3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione (PubChem CID 171618726) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione
PubChem CID171618726
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)C3(CCOCC3)c3ccc(N4CCNCC4)cc32)C(=O)N1
InChIInChI=1S/C21H26N4O4/c26-18-4-3-16(19(27)23-18)25-17-13-14(24-9-7-22-8-10-24)1-2-15(17)21(20(25)28)5-11-29-12-6-21/h1-2,13,16,22H,3-12H2,(H,23,26,27)
InChIKeyWAEFNXHCUVGGIC-UHFFFAOYSA-N
XLogP0.30
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione
CID 171618731
3-[2-oxo-5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]spiro[indole-3,4'-oxane]-1-yl]piperidine-2,6-dione
CID 177301922
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 170009867
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione;ethane;prop-1-ene
CID 142368742
3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 167470171
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 175658749
(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170706486
5-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 171705610
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
5-(azetidin-1-yl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 164846090
3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione
CID 135273233

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione (CID 171618726) is 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione is O=C1CCC(N2C(=O)C3(CCOCC3)c3ccc(N4CCNCC4)cc32)C(=O)N1.
What is the InChIKey of 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione?
The InChIKey is WAEFNXHCUVGGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c26-18-4-3-16(19(27)23-18)25-17-13-14(24-9-7-22-8-10-24)1-2-15(17)21(20(25)28)5-11-29-12-6-21/h1-2,13,16,22H,3-12H2,(H,23,26,27).
What are the key properties of 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione?
3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione has a molecular weight of 398.46 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 171618726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).