N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide

C₂₉H₃₂N₄O₃ — CID 41023343

About N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide

N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide (PubChem CID 41023343) has the molecular formula C₂₉H₃₂N₄O₃ and a molecular weight of 484.60 g/mol. Its IUPAC name is N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
• PubChem CID: 41023343
• Molecular Formula: C₂₉H₃₂N₄O₃
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.25
• IUPAC Name: N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
• SMILES: CN(Cc1ccccc1N1CCCCC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O
• InChI: InChI=1S/C29H32N4O3/c1-29(24-15-14-21-10-4-5-11-22(21)18-24)27(35)33(28(36)30-29)20-26(34)31(2)19-23-12-6-7-13-25(23)32-16-8-3-9-17-32/h4-7,10-15,18H,3,8-9,16-17,19-20H2,1-2H3,(H,30,36)/t29-/m0/s1
• InChIKey: KLWLBSIBOUWLOM-LJAQVGFWSA-N
• XLogP: 4.26
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	4.26
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 N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?

The IUPAC name of N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide (CID 41023343) is N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide.

What is the SMILES notation for N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?

The canonical SMILES for N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide is CN(Cc1ccccc1N1CCCCC1)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O.

What is the InChIKey of N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?

The InChIKey is KLWLBSIBOUWLOM-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-29(24-15-14-21-10-4-5-11-22(21)18-24)27(35)33(28(36)30-29)20-26(34)31(2)19-23-12-6-7-13-25(23)32-16-8-3-9-17-32/h4-7,10-15,18H,3,8-9,16-17,19-20H2,1-2H3,(H,30,36)/t29-/m0/s1.

What are the key properties of N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?

N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide has a molecular weight of 484.60 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 41023343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 41023343 — identifiers, structure, computed properties (public domain)

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