(5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione

C24H36FN3O2 — CID 42192493

About (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione

(5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 42192493) has the molecular formula C24H36FN3O2 and a molecular weight of 417.57 g/mol. Its IUPAC name is (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
• PubChem CID: 42192493
• Molecular Formula: C24H36FN3O2
• Molecular Weight: 417.57 g/mol
• Exact Mass: 417.28
• IUPAC Name: (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
• SMILES: CC(C)CN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(CC(C)(C)C)CC2)C1=O
• InChI: InChI=1S/C24H36FN3O2/c1-17(2)15-28-21(29)24(26-22(28)30,14-18-7-6-8-20(25)13-18)19-9-11-27(12-10-19)16-23(3,4)5/h6-8,13,17,19H,9-12,14-16H2,1-5H3,(H,26,30)/t24-/m0/s1
• InChIKey: UTDNYQPBRSRIPN-DEOSSOPVSA-N
• XLogP: 4.07
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.57
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (CID 42192493) is (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CN1C(=O)N[C@@](Cc2cccc(F)c2)(C2CCN(CC(C)(C)C)CC2)C1=O.

What is the InChIKey of (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?

The InChIKey is UTDNYQPBRSRIPN-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H36FN3O2/c1-17(2)15-28-21(29)24(26-22(28)30,14-18-7-6-8-20(25)13-18)19-9-11-27(12-10-19)16-23(3,4)5/h6-8,13,17,19H,9-12,14-16H2,1-5H3,(H,26,30)/t24-/m0/s1.

What are the key properties of (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?

(5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 417.57 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[1-(2,2-dimethylpropyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42192493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).