1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione

C16H19N3O2 — CID 90259431

IUPAC1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione
SMILESO=C1NCCC12C(=O)N(C1CCNCC1)c1ccccc12
InChIInChI=1S/C16H19N3O2/c20-14-16(7-10-18-14)12-3-1-2-4-13(12)19(15(16)21)11-5-8-17-9-6-11/h1-4,11,17H,5-10H2,(H,18,20)
InChIKeyNZDAUWARJJKFHS-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.54
Rot. Bonds1

About 1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione

1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione (PubChem CID 90259431) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione.

Molecular Properties

Compound Name1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione
PubChem CID90259431
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione
SMILESO=C1NCCC12C(=O)N(C1CCNCC1)c1ccccc12
InChIInChI=1S/C16H19N3O2/c20-14-16(7-10-18-14)12-3-1-2-4-13(12)19(15(16)21)11-5-8-17-9-6-11/h1-4,11,17H,5-10H2,(H,18,20)
InChIKeyNZDAUWARJJKFHS-UHFFFAOYSA-N
XLogP0.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione?
The IUPAC name of 1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione (CID 90259431) is 1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione.
What is the SMILES notation for 1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione?
The canonical SMILES for 1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione is O=C1NCCC12C(=O)N(C1CCNCC1)c1ccccc12.
What is the InChIKey of 1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione?
The InChIKey is NZDAUWARJJKFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-14-16(7-10-18-14)12-3-1-2-4-13(12)19(15(16)21)11-5-8-17-9-6-11/h1-4,11,17H,5-10H2,(H,18,20).
What are the key properties of 1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione?
1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione has a molecular weight of 285.35 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-ylspiro[indole-3,3'-pyrrolidine]-2,2'-dione is sourced from PubChem (CID 90259431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).