2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine

C33H38N6O3 — CID 91934583

About 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine

2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine (PubChem CID 91934583) has the molecular formula C33H38N6O3 and a molecular weight of 566.71 g/mol. Its IUPAC name is 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine.

Molecular Properties

• Compound Name: 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine
• PubChem CID: 91934583
• Molecular Formula: C33H38N6O3
• Molecular Weight: 566.71 g/mol
• Exact Mass: 566.30
• IUPAC Name: 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine
• SMILES: NC(N)=NCCCc1[nH]c(=O)n([C@H](Cc2cccc3ccccc23)C(=O)N2CCC3(CCc4ccccc43)CC2)c1O
• InChI: InChI=1S/C33H38N6O3/c34-31(35)36-18-6-13-27-29(40)39(32(42)37-27)28(21-24-10-5-9-22-7-1-3-11-25(22)24)30(41)38-19-16-33(17-20-38)15-14-23-8-2-4-12-26(23)33/h1-5,7-12,28,40H,6,13-21H2,(H,37,42)(H4,34,35,36)/t28-/m1/s1
• InChIKey: TVUKYEHTPWPOQY-MUUNZHRXSA-N
• XLogP: 3.53
• TPSA: 142.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.71
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine?

The IUPAC name of 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine (CID 91934583) is 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine.

What is the SMILES notation for 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine?

The canonical SMILES for 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine is NC(N)=NCCCc1[nH]c(=O)n([C@H](Cc2cccc3ccccc23)C(=O)N2CCC3(CCc4ccccc43)CC2)c1O.

What is the InChIKey of 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine?

The InChIKey is TVUKYEHTPWPOQY-MUUNZHRXSA-N. The full InChI is InChI=1S/C33H38N6O3/c34-31(35)36-18-6-13-27-29(40)39(32(42)37-27)28(21-24-10-5-9-22-7-1-3-11-25(22)24)30(41)38-19-16-33(17-20-38)15-14-23-8-2-4-12-26(23)33/h1-5,7-12,28,40H,6,13-21H2,(H,37,42)(H4,34,35,36)/t28-/m1/s1.

What are the key properties of 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine?

2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine has a molecular weight of 566.71 g/mol, XLogP of 3.53, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-hydroxy-3-[(2R)-3-naphthalen-1-yl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]-2-oxo-1H-imidazol-5-yl]propyl]guanidine is sourced from PubChem (CID 91934583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).