4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide

C23H33N5O3 — CID 46443617

About 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide

4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide (PubChem CID 46443617) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide
• PubChem CID: 46443617
• Molecular Formula: C23H33N5O3
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.26
• IUPAC Name: 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide
• SMILES: CCN(CC)C(=O)N1CCN(CN2C(=O)NC(C)(c3ccc4c(c3)CCC4)C2=O)CC1
• InChI: InChI=1S/C23H33N5O3/c1-4-26(5-2)22(31)27-13-11-25(12-14-27)16-28-20(29)23(3,24-21(28)30)19-10-9-17-7-6-8-18(17)15-19/h9-10,15H,4-8,11-14,16H2,1-3H3,(H,24,30)
• InChIKey: NNHKAANTYMOKIZ-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 76.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide?

The IUPAC name of 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide (CID 46443617) is 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide.

What is the SMILES notation for 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide?

The canonical SMILES for 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(CN2C(=O)NC(C)(c3ccc4c(c3)CCC4)C2=O)CC1.

What is the InChIKey of 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide?

The InChIKey is NNHKAANTYMOKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-4-26(5-2)22(31)27-13-11-25(12-14-27)16-28-20(29)23(3,24-21(28)30)19-10-9-17-7-6-8-18(17)15-19/h9-10,15H,4-8,11-14,16H2,1-3H3,(H,24,30).

What are the key properties of 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide?

4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 46443617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).