(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione

C27H36N4O5 — CID 42274286

About (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione

(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione (PubChem CID 42274286) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
• PubChem CID: 42274286
• Molecular Formula: C27H36N4O5
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.27
• IUPAC Name: (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
• SMILES: CCC[C@]1(C2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O
• InChI: InChI=1S/C27H36N4O5/c1-2-13-27(25(34)31(26(35)28-27)18-22-5-4-17-36-22)20-11-15-29(16-12-20)24(33)19-7-9-21(10-8-19)30-14-3-6-23(30)32/h7-10,20,22H,2-6,11-18H2,1H3,(H,28,35)/t22-,27-/m1/s1
• InChIKey: ZRPHMECSDKNLSG-AJTFRIOCSA-N
• XLogP: 2.94
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	2.94
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 (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione (CID 42274286) is (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione is CCC[C@]1(C2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)NC(=O)N(C[C@H]2CCCO2)C1=O.

What is the InChIKey of (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione?

The InChIKey is ZRPHMECSDKNLSG-AJTFRIOCSA-N. The full InChI is InChI=1S/C27H36N4O5/c1-2-13-27(25(34)31(26(35)28-27)18-22-5-4-17-36-22)20-11-15-29(16-12-20)24(33)19-7-9-21(10-8-19)30-14-3-6-23(30)32/h7-10,20,22H,2-6,11-18H2,1H3,(H,28,35)/t22-,27-/m1/s1.

What are the key properties of (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione?

(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione has a molecular weight of 496.61 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 42274286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).