1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione

C26H37N3O2 — CID 142638309

IUPAC1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione
SMILESO=C1NC(=O)C2C1CN(c1ccccc1)C21CCN(C2CCCCCCCCC2)CC1
InChIInChI=1S/C26H37N3O2/c30-24-22-19-29(21-13-9-6-10-14-21)26(23(22)25(31)27-24)15-17-28(18-16-26)20-11-7-4-2-1-3-5-8-12-20/h6,9-10,13-14,20,22-23H,1-5,7-8,11-12,15-19H2,(H,27,30,31)
InChIKeyRRFIQOPTXACSST-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.12
Rot. Bonds2

About 1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione

1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione (PubChem CID 142638309) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione.

Molecular Properties

Compound Name1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione
PubChem CID142638309
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione
SMILESO=C1NC(=O)C2C1CN(c1ccccc1)C21CCN(C2CCCCCCCCC2)CC1
InChIInChI=1S/C26H37N3O2/c30-24-22-19-29(21-13-9-6-10-14-21)26(23(22)25(31)27-24)15-17-28(18-16-26)20-11-7-4-2-1-3-5-8-12-20/h6,9-10,13-14,20,22-23H,1-5,7-8,11-12,15-19H2,(H,27,30,31)
InChIKeyRRFIQOPTXACSST-UHFFFAOYSA-N
XLogP4.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1'-cyclodecyl-5-phenylspiro[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

Related Compounds

3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-fluorophenyl)propanamide
CID 3239586
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(2-fluorophenyl)propanamide
CID 3235979
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-phenylpropanamide
CID 2902216
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)-N-phenylacetamide
CID 12833546
5-Benzyl-2-phenyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
CID 356437
N-(4-aminophenyl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetamide
CID 13463201
(3R,3aR,6aS)-3,5-diphenyl-3-(trifluoromethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 134961612
(3S,4S)-1-methyl-N-phenyl-4-piperidin-4-ylpyrrolidine-3-carboxamide
CID 86820404
2,3,3-trimethyl-5-(4-methylphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 13611060
5-Methyl-4,4-pentamethylene-2-para-tolylpephydropyrrolo(3,4-C)pyrrole-1,3-dione
CID 13611064
4-Phenyl-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
CID 21188425
3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(3-fluorophenyl)propanamide
CID 4199503

Frequently Asked Questions

What is the IUPAC name of 1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione?
The IUPAC name of 1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione (CID 142638309) is 1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione.
What is the SMILES notation for 1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione?
The canonical SMILES for 1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione is O=C1NC(=O)C2C1CN(c1ccccc1)C21CCN(C2CCCCCCCCC2)CC1.
What is the InChIKey of 1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione?
The InChIKey is RRFIQOPTXACSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2/c30-24-22-19-29(21-13-9-6-10-14-21)26(23(22)25(31)27-24)15-17-28(18-16-26)20-11-7-4-2-1-3-5-8-12-20/h6,9-10,13-14,20,22-23H,1-5,7-8,11-12,15-19H2,(H,27,30,31).
What are the key properties of 1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione?
1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione has a molecular weight of 423.60 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-cyclodecyl-5-phenylspiro[6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-4,4'-piperidine]-1,3-dione is sourced from PubChem (CID 142638309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).