2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride

C42H54Cl3N3O9 — CID 69318236

About 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride

2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride (PubChem CID 69318236) has the molecular formula C42H54Cl3N3O9 and a molecular weight of 851.26 g/mol. Its IUPAC name is 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride
• PubChem CID: 69318236
• Molecular Formula: C42H54Cl3N3O9
• Molecular Weight: 851.26 g/mol
• Exact Mass: 849.29
• IUPAC Name: 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride
• SMILES: COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[C@@H]4OCC(=O)N(C)CCOCCO)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC.Cl
• InChI: InChI=1S/C42H53Cl2N3O9.ClH/c1-45(17-20-54-22-19-48)38(49)27-55-37-25-29-7-5-6-8-32(29)41(37)11-14-46(15-12-41)16-13-42(31-9-10-33(43)34(44)26-31)28-47(18-21-56-42)40(50)30-23-35(51-2)39(53-4)36(24-30)52-3;/h5-10,23-24,26,37,48H,11-22,25,27-28H2,1-4H3;1H/t37-,42+;/m0./s1
• InChIKey: UJCKBUXVGUQYEQ-TYBXPOATSA-N
• XLogP: 5.64
• TPSA: 119.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.26
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride?

The IUPAC name of 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride (CID 69318236) is 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride.

What is the SMILES notation for 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride?

The canonical SMILES for 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride is COc1cc(C(=O)N2CCO[C@@](CCN3CCC4(CC3)c3ccccc3C[C@@H]4OCC(=O)N(C)CCOCCO)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC.Cl.

What is the InChIKey of 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride?

The InChIKey is UJCKBUXVGUQYEQ-TYBXPOATSA-N. The full InChI is InChI=1S/C42H53Cl2N3O9.ClH/c1-45(17-20-54-22-19-48)38(49)27-55-37-25-29-7-5-6-8-32(29)41(37)11-14-46(15-12-41)16-13-42(31-9-10-33(43)34(44)26-31)28-47(18-21-56-42)40(50)30-23-35(51-2)39(53-4)36(24-30)52-3;/h5-10,23-24,26,37,48H,11-22,25,27-28H2,1-4H3;1H/t37-,42+;/m0./s1.

What are the key properties of 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride?

2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride has a molecular weight of 851.26 g/mol, XLogP of 5.64, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1'-[2-[(2S)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxy-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 69318236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).