N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

C28H36N2O5 — CID 133135134

About N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (PubChem CID 133135134) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
• PubChem CID: 133135134
• Molecular Formula: C28H36N2O5
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.26
• IUPAC Name: N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
• SMILES: COCCO[C@@H]1[C@@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)c1ccc(OC)cc1)CC2
• InChI: InChI=1S/C28H36N2O5/c1-19(2)26(31)29-24-22-7-5-6-8-23(22)28(25(24)35-18-17-33-3)13-15-30(16-14-28)27(32)20-9-11-21(34-4)12-10-20/h5-12,19,24-25H,13-18H2,1-4H3,(H,29,31)/t24-,25+/m0/s1
• InChIKey: QQYABQWEVPFDMU-LOSJGSFVSA-N
• XLogP: 3.73
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

The IUPAC name of N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (CID 133135134) is N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

What is the SMILES notation for N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

The canonical SMILES for N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is COCCO[C@@H]1[C@@H](NC(=O)C(C)C)c2ccccc2C12CCN(C(=O)c1ccc(OC)cc1)CC2.

What is the InChIKey of N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

The InChIKey is QQYABQWEVPFDMU-LOSJGSFVSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-19(2)26(31)29-24-22-7-5-6-8-23(22)28(25(24)35-18-17-33-3)13-15-30(16-14-28)27(32)20-9-11-21(34-4)12-10-20/h5-12,19,24-25H,13-18H2,1-4H3,(H,29,31)/t24-,25+/m0/s1.

What are the key properties of N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide has a molecular weight of 480.61 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is sourced from PubChem (CID 133135134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).