(5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione

C26H29FN4O4 — CID 42432477

About (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione

(5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 42432477) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
• PubChem CID: 42432477
• Molecular Formula: C26H29FN4O4
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.22
• IUPAC Name: (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
• SMILES: O=C(Cc1ccc(F)cc1)N1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1
• InChI: InChI=1S/C26H29FN4O4/c27-20-8-6-18(7-9-20)16-23(32)30-13-10-19(11-14-30)26(22-5-1-2-12-28-22)24(33)31(25(34)29-26)17-21-4-3-15-35-21/h1-2,5-9,12,19,21H,3-4,10-11,13-17H2,(H,29,34)/t21-,26-/m0/s1
• InChIKey: BWCFWCQQUFFILL-LVXARBLLSA-N
• XLogP: 2.63
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione (CID 42432477) is (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione is O=C(Cc1ccc(F)cc1)N1CCC([C@@]2(c3ccccn3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1.

What is the InChIKey of (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?

The InChIKey is BWCFWCQQUFFILL-LVXARBLLSA-N. The full InChI is InChI=1S/C26H29FN4O4/c27-20-8-6-18(7-9-20)16-23(32)30-13-10-19(11-14-30)26(22-5-1-2-12-28-22)24(33)31(25(34)29-26)17-21-4-3-15-35-21/h1-2,5-9,12,19,21H,3-4,10-11,13-17H2,(H,29,34)/t21-,26-/m0/s1.

What are the key properties of (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione?

(5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 480.54 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 42432477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).