N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide

C26H30N4O3 — CID 166231958

About N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide

N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide (PubChem CID 166231958) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
• PubChem CID: 166231958
• Molecular Formula: C26H30N4O3
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.23
• IUPAC Name: N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
• SMILES: CC1(c2cccc(CNC(=O)N3CCCC4(CCCc5ccccc54)C3)c2)NC(=O)NC1=O
• InChI: InChI=1S/C26H30N4O3/c1-25(22(31)28-23(32)29-25)20-10-4-7-18(15-20)16-27-24(33)30-14-6-13-26(17-30)12-5-9-19-8-2-3-11-21(19)26/h2-4,7-8,10-11,15H,5-6,9,12-14,16-17H2,1H3,(H,27,33)(H2,28,29,31,32)
• InChIKey: DLBPSJOXHQKBLZ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 90.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide?

The IUPAC name of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide (CID 166231958) is N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide.

What is the SMILES notation for N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide?

The canonical SMILES for N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide is CC1(c2cccc(CNC(=O)N3CCCC4(CCCc5ccccc54)C3)c2)NC(=O)NC1=O.

What is the InChIKey of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide?

The InChIKey is DLBPSJOXHQKBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-25(22(31)28-23(32)29-25)20-10-4-7-18(15-20)16-27-24(33)30-14-6-13-26(17-30)12-5-9-19-8-2-3-11-21(19)26/h2-4,7-8,10-11,15H,5-6,9,12-14,16-17H2,1H3,(H,27,33)(H2,28,29,31,32).

What are the key properties of N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide?

N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide is sourced from PubChem (CID 166231958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).