(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione

C27H33N3O4 — CID 42366758

About (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione

(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 42366758) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione
• PubChem CID: 42366758
• Molecular Formula: C27H33N3O4
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.25
• IUPAC Name: (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione
• SMILES: COc1cccc(C[C@]2(C3CCN(C/C=C/c4ccccc4OC)CC3)NC(=O)N(C)C2=O)c1
• InChI: InChI=1S/C27H33N3O4/c1-29-25(31)27(28-26(29)32,19-20-8-6-11-23(18-20)33-2)22-13-16-30(17-14-22)15-7-10-21-9-4-5-12-24(21)34-3/h4-12,18,22H,13-17,19H2,1-3H3,(H,28,32)/b10-7+/t27-/m1/s1
• InChIKey: OJZAUHXTYYRFKN-ACMAXOTASA-N
• XLogP: 3.59
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	3.59
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)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione (CID 42366758) is (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione is COc1cccc(C[C@]2(C3CCN(C/C=C/c4ccccc4OC)CC3)NC(=O)N(C)C2=O)c1.

What is the InChIKey of (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione?

The InChIKey is OJZAUHXTYYRFKN-ACMAXOTASA-N. The full InChI is InChI=1S/C27H33N3O4/c1-29-25(31)27(28-26(29)32,19-20-8-6-11-23(18-20)33-2)22-13-16-30(17-14-22)15-7-10-21-9-4-5-12-24(21)34-3/h4-12,18,22H,13-17,19H2,1-3H3,(H,28,32)/b10-7+/t27-/m1/s1.

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

(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 463.58 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42366758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).