3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

C28H34FN3O4 — CID 45204257

About 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45204257) has the molecular formula C28H34FN3O4 and a molecular weight of 495.60 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
• PubChem CID: 45204257
• Molecular Formula: C28H34FN3O4
• Molecular Weight: 495.60 g/mol
• Exact Mass: 495.25
• IUPAC Name: 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
• SMILES: COc1cc(CN2CCC(C3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)ccc1O
• InChI: InChI=1S/C28H34FN3O4/c1-36-25-16-20(8-11-24(25)33)18-31-14-12-21(13-15-31)28(17-19-6-9-22(29)10-7-19)26(34)32(27(35)30-28)23-4-2-3-5-23/h6-11,16,21,23,33H,2-5,12-15,17-18H2,1H3,(H,30,35)
• InChIKey: WOIXGHLGEDAARM-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.60
LogP ≤ 5	4.23
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 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?

The IUPAC name of 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 45204257) is 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

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

The canonical SMILES for 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is COc1cc(CN2CCC(C3(Cc4ccc(F)cc4)NC(=O)N(C4CCCC4)C3=O)CC2)ccc1O.

What is the InChIKey of 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?

The InChIKey is WOIXGHLGEDAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O4/c1-36-25-16-20(8-11-24(25)33)18-31-14-12-21(13-15-31)28(17-19-6-9-22(29)10-7-19)26(34)32(27(35)30-28)23-4-2-3-5-23/h6-11,16,21,23,33H,2-5,12-15,17-18H2,1H3,(H,30,35).

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

3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 495.60 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45204257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).