(5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

C27H35N3O5 — CID 42481511

About (5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

(5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42481511) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is (5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
• PubChem CID: 42481511
• Molecular Formula: C27H35N3O5
• Molecular Weight: 481.59 g/mol
• Exact Mass: 481.26
• IUPAC Name: (5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
• SMILES: COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(Cc3ccc(OC)cc3)CC2)C1=O
• InChI: InChI=1S/C27H35N3O5/c1-33-16-15-30-25(31)27(28-26(30)32,18-21-5-4-6-24(17-21)35-3)22-11-13-29(14-12-22)19-20-7-9-23(34-2)10-8-20/h4-10,17,22H,11-16,18-19H2,1-3H3,(H,28,32)/t27-/m1/s1
• InChIKey: SZWRENCAMHKPIW-HHHXNRCGSA-N
• XLogP: 3.10
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.59
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 42481511) is (5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(Cc3ccc(OC)cc3)CC2)C1=O.

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

The InChIKey is SZWRENCAMHKPIW-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-33-16-15-30-25(31)27(28-26(30)32,18-21-5-4-6-24(17-21)35-3)22-11-13-29(14-12-22)19-20-7-9-23(34-2)10-8-20/h4-10,17,22H,11-16,18-19H2,1-3H3,(H,28,32)/t27-/m1/s1.

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

(5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 481.59 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42481511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).