1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione

C26H36FN3O2 — CID 142638293

IUPAC1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione
SMILESCN1C(=O)C2CN(c3ccc(F)cc3)C3(CCN(C4CCCCCCCC4)CC3)C2C1=O
InChIInChI=1S/C26H36FN3O2/c1-28-24(31)22-18-30(21-12-10-19(27)11-13-21)26(23(22)25(28)32)14-16-29(17-15-26)20-8-6-4-2-3-5-7-9-20/h10-13,20,22-23H,2-9,14-18H2,1H3
InChIKeyZVFOXNCWJSWJAT-UHFFFAOYSA-N
MW441.59 g/mol
LogP4.21
Rot. Bonds2

About 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione

1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione (PubChem CID 142638293) has the molecular formula C26H36FN3O2 and a molecular weight of 441.59 g/mol. Its IUPAC name is 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione.

Molecular Properties

Compound Name1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione
PubChem CID142638293
Molecular FormulaC26H36FN3O2
Molecular Weight441.59 g/mol
Exact Mass441.28
IUPAC Name1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione
SMILESCN1C(=O)C2CN(c3ccc(F)cc3)C3(CCN(C4CCCCCCCC4)CC3)C2C1=O
InChIInChI=1S/C26H36FN3O2/c1-28-24(31)22-18-30(21-12-10-19(27)11-13-21)26(23(22)25(28)32)14-16-29(17-15-26)20-8-6-4-2-3-5-7-9-20/h10-13,20,22-23H,2-9,14-18H2,1H3
InChIKeyZVFOXNCWJSWJAT-UHFFFAOYSA-N
XLogP4.21
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione?
The IUPAC name of 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione (CID 142638293) is 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione.
What is the SMILES notation for 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione?
The canonical SMILES for 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione is CN1C(=O)C2CN(c3ccc(F)cc3)C3(CCN(C4CCCCCCCC4)CC3)C2C1=O.
What is the InChIKey of 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione?
The InChIKey is ZVFOXNCWJSWJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O2/c1-28-24(31)22-18-30(21-12-10-19(27)11-13-21)26(23(22)25(28)32)14-16-29(17-15-26)20-8-6-4-2-3-5-7-9-20/h10-13,20,22-23H,2-9,14-18H2,1H3.
What are the key properties of 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione?
1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione has a molecular weight of 441.59 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclononyl-5-(4-fluorophenyl)-2-methylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione is sourced from PubChem (CID 142638293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).