(5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C26H29FN4O5 — CID 42190493

About (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

(5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42190493) has the molecular formula C26H29FN4O5 and a molecular weight of 496.54 g/mol. Its IUPAC name is (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• PubChem CID: 42190493
• Molecular Formula: C26H29FN4O5
• Molecular Weight: 496.54 g/mol
• Exact Mass: 496.21
• IUPAC Name: (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• SMILES: O=C(c1ccc(=O)[nH]c1)N1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1
• InChI: InChI=1S/C26H29FN4O5/c27-20-6-3-17(4-7-20)14-26(24(34)31(25(35)29-26)16-21-2-1-13-36-21)19-9-11-30(12-10-19)23(33)18-5-8-22(32)28-15-18/h3-8,15,19,21H,1-2,9-14,16H2,(H,28,32)(H,29,35)/t21-,26-/m0/s1
• InChIKey: MBRHZDVKNAWMQM-LVXARBLLSA-N
• XLogP: 2.08
• TPSA: 111.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.54
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
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-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 42190493) is (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C(c1ccc(=O)[nH]c1)N1CCC([C@]2(Cc3ccc(F)cc3)NC(=O)N(C[C@@H]3CCCO3)C2=O)CC1.

What is the InChIKey of (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

The InChIKey is MBRHZDVKNAWMQM-LVXARBLLSA-N. The full InChI is InChI=1S/C26H29FN4O5/c27-20-6-3-17(4-7-20)14-26(24(34)31(25(35)29-26)16-21-2-1-13-36-21)19-9-11-30(12-10-19)23(33)18-5-8-22(32)28-15-18/h3-8,15,19,21H,1-2,9-14,16H2,(H,28,32)(H,29,35)/t21-,26-/m0/s1.

What are the key properties of (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?

(5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 496.54 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(4-fluorophenyl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42190493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).