1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione

C26H32N2O2 — CID 10319059

IUPAC1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione
SMILESCC1CCCC(C)N1CCCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C26H32N2O2/c1-20-11-9-12-21(2)27(20)17-10-18-28-24(29)19-26(25(28)30,22-13-5-3-6-14-22)23-15-7-4-8-16-23/h3-8,13-16,20-21H,9-12,17-19H2,1-2H3
InChIKeyJSCQBRSCYBBBBD-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.38
Rot. Bonds6

About 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione

1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione (PubChem CID 10319059) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione
PubChem CID10319059
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione
SMILESCC1CCCC(C)N1CCCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C26H32N2O2/c1-20-11-9-12-21(2)27(20)17-10-18-28-24(29)19-26(25(28)30,22-13-5-3-6-14-22)23-15-7-4-8-16-23/h3-8,13-16,20-21H,9-12,17-19H2,1-2H3
InChIKeyJSCQBRSCYBBBBD-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Doxapram
CID 3156
Methsuximide
CID 6476
Isopropamide
CID 3775
Dextromoramide
CID 92943
Isopropamide Iodide
CID 6284
Doxapram Hydrochloride
CID 64648
Fenpiverinium Bromide
CID 71489
Sameridine
CID 65996
1-((3R)-3-Methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl)pyrrolidine
CID 10453145
Dopram
CID 64647
Racemoramide
CID 9648
Fenpiverinium
CID 71490

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione (CID 10319059) is 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione is CC1CCCC(C)N1CCCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione?
The InChIKey is JSCQBRSCYBBBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-20-11-9-12-21(2)27(20)17-10-18-28-24(29)19-26(25(28)30,22-13-5-3-6-14-22)23-15-7-4-8-16-23/h3-8,13-16,20-21H,9-12,17-19H2,1-2H3.
What are the key properties of 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione?
1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione has a molecular weight of 404.55 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylpiperidin-1-yl)propyl]-3,3-diphenylpyrrolidine-2,5-dione is sourced from PubChem (CID 10319059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).