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

C27H32N4O4 — CID 26279266

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

(5S)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 26279266) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is (5S)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
• PubChem CID: 26279266
• Molecular Formula: C27H32N4O4
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.24
• IUPAC Name: (5S)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
• SMILES: Cc1ccccc1CC(=O)N1CCC([C@@]2(c3cccnc3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1
• InChI: InChI=1S/C27H32N4O4/c1-19-6-2-3-7-20(19)16-24(32)30-13-10-21(11-14-30)27(22-8-4-12-28-17-22)25(33)31(26(34)29-27)18-23-9-5-15-35-23/h2-4,6-8,12,17,21,23H,5,9-11,13-16,18H2,1H3,(H,29,34)/t23-,27-/m0/s1
• InChIKey: GQYUQARGFODVQY-HOFKKMOUSA-N
• XLogP: 2.80
• 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	476.58
LogP ≤ 5	2.80
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-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 26279266) is (5S)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

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

The canonical SMILES for (5S)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione is Cc1ccccc1CC(=O)N1CCC([C@@]2(c3cccnc3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1.

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

The InChIKey is GQYUQARGFODVQY-HOFKKMOUSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-19-6-2-3-7-20(19)16-24(32)30-13-10-21(11-14-30)27(22-8-4-12-28-17-22)25(33)31(26(34)29-27)18-23-9-5-15-35-23/h2-4,6-8,12,17,21,23H,5,9-11,13-16,18H2,1H3,(H,29,34)/t23-,27-/m0/s1.

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

(5S)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 476.58 g/mol, XLogP of 2.80, 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-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 26279266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).