(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione

C25H35N3O4 — CID 42274825

About (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione

(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 42274825) has the molecular formula C25H35N3O4 and a molecular weight of 441.57 g/mol. Its IUPAC name is (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
• PubChem CID: 42274825
• Molecular Formula: C25H35N3O4
• Molecular Weight: 441.57 g/mol
• Exact Mass: 441.26
• IUPAC Name: (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
• SMILES: CCC[C@]1(C2CCN(C(=O)Cc3ccccc3C)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O
• InChI: InChI=1S/C25H35N3O4/c1-3-12-25(23(30)28(24(31)26-25)17-21-9-6-15-32-21)20-10-13-27(14-11-20)22(29)16-19-8-5-4-7-18(19)2/h4-5,7-8,20-21H,3,6,9-17H2,1-2H3,(H,26,31)/t21-,25-/m1/s1
• InChIKey: LEJBZVHQXBKIRJ-PXDATVDWSA-N
• XLogP: 3.05
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.57
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione (CID 42274825) is (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione is CCC[C@]1(C2CCN(C(=O)Cc3ccccc3C)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O.

What is the InChIKey of (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione?

The InChIKey is LEJBZVHQXBKIRJ-PXDATVDWSA-N. The full InChI is InChI=1S/C25H35N3O4/c1-3-12-25(23(30)28(24(31)26-25)17-21-9-6-15-32-21)20-10-13-27(14-11-20)22(29)16-19-8-5-4-7-18(19)2/h4-5,7-8,20-21H,3,6,9-17H2,1-2H3,(H,26,31)/t21-,25-/m1/s1.

What are the key properties of (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione?

(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 441.57 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 42274825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).