(3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C25H35N3O4 — CID 125159436

About (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione

(3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 125159436) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
• PubChem CID: 125159436
• Molecular Formula: C25H35N3O4
• Molecular Weight: 441.57 g/mol
• Exact Mass: 441.26
• IUPAC Name: (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
• SMILES: CCC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(CCN(C)C)C2=O)C1
• InChI: InChI=1S/C25H35N3O4/c1-5-21(29)19-10-8-12-27(17-19)22(30)15-25(20-11-7-6-9-18(20)2)16-23(31)28(24(25)32)14-13-26(3)4/h6-7,9,11,19H,5,8,10,12-17H2,1-4H3/t19-,25-/m1/s1
• InChIKey: XUHLZEJMYGBHOZ-KBMIEXCESA-N
• XLogP: 2.16
• TPSA: 78.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.57
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 125159436) is (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The canonical SMILES for (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione is CCC(=O)[C@@H]1CCCN(C(=O)C[C@]2(c3ccccc3C)CC(=O)N(CCN(C)C)C2=O)C1.

What is the InChIKey of (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The InChIKey is XUHLZEJMYGBHOZ-KBMIEXCESA-N. The full InChI is InChI=1S/C25H35N3O4/c1-5-21(29)19-10-8-12-27(17-19)22(30)15-25(20-11-7-6-9-18(20)2)16-23(31)28(24(25)32)14-13-26(3)4/h6-7,9,11,19H,5,8,10,12-17H2,1-4H3/t19-,25-/m1/s1.

What are the key properties of (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione?

(3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 441.57 g/mol, XLogP of 2.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 125159436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).