N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide

C25H28N4O5 — CID 31383195

About N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide (PubChem CID 31383195) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 31383195
• Molecular Formula: C25H28N4O5
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.21
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide
• SMILES: Cc1ccc([C@]2(C)NC(=O)N(CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1
• InChI: InChI=1S/C25H28N4O5/c1-16-3-5-18(6-4-16)25(2)23(31)29(24(32)27-25)14-28-11-9-17(10-12-28)22(30)26-19-7-8-20-21(13-19)34-15-33-20/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,26,30)(H,27,32)/t25-/m0/s1
• InChIKey: SABYRSUZZHQJDF-VWLOTQADSA-N
• XLogP: 2.80
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
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 N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide (CID 31383195) is N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide is Cc1ccc([C@]2(C)NC(=O)N(CN3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)C2=O)cc1.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide?

The InChIKey is SABYRSUZZHQJDF-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-16-3-5-18(6-4-16)25(2)23(31)29(24(32)27-25)14-28-11-9-17(10-12-28)22(30)26-19-7-8-20-21(13-19)34-15-33-20/h3-8,13,17H,9-12,14-15H2,1-2H3,(H,26,30)(H,27,32)/t25-/m0/s1.

What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide?

N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-1-[[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 31383195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).