2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide

C22H30N4O4 — CID 56551831

About 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 56551831) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
• PubChem CID: 56551831
• Molecular Formula: C22H30N4O4
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.23
• IUPAC Name: 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
• SMILES: CC1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1=O
• InChI: InChI=1S/C22H30N4O4/c1-22(17-6-7-17)20(29)26(21(30)24-22)14-19(28)23-12-15-2-4-16(5-3-15)13-25-10-8-18(27)9-11-25/h2-5,17-18,27H,6-14H2,1H3,(H,23,28)(H,24,30)
• InChIKey: HNMUZYXKTYFOBR-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 101.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	3
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 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide?

The IUPAC name of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide (CID 56551831) is 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide.

What is the SMILES notation for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide?

The canonical SMILES for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide is CC1(C2CC2)NC(=O)N(CC(=O)NCc2ccc(CN3CCC(O)CC3)cc2)C1=O.

What is the InChIKey of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide?

The InChIKey is HNMUZYXKTYFOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-22(17-6-7-17)20(29)26(21(30)24-22)14-19(28)23-12-15-2-4-16(5-3-15)13-25-10-8-18(27)9-11-25/h2-5,17-18,27H,6-14H2,1H3,(H,23,28)(H,24,30).

What are the key properties of 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide?

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 414.51 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 56551831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).