N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide

C29H30N2O2S — CID 42449927

About N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide

N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide (PubChem CID 42449927) has the molecular formula C29H30N2O2S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
• PubChem CID: 42449927
• Molecular Formula: C29H30N2O2S
• Molecular Weight: 470.64 g/mol
• Exact Mass: 470.20
• IUPAC Name: N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
• SMILES: CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CCN(CC#Cc1ccccc1)CC2
• InChI: InChI=1S/C29H30N2O2S/c1-33-28-27(30-26(32)21-23-12-8-20-34-23)24-13-5-6-14-25(24)29(28)15-18-31(19-16-29)17-7-11-22-9-3-2-4-10-22/h2-6,8-10,12-14,20,27-28H,15-19,21H2,1H3,(H,30,32)/t27-,28+/m1/s1
• InChIKey: LJQYQXBZUSBNTN-IZLXSDGUSA-N
• XLogP: 4.56
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.64
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide (CID 42449927) is N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide is CO[C@H]1[C@H](NC(=O)Cc2cccs2)c2ccccc2C12CCN(CC#Cc1ccccc1)CC2.

What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide?

The InChIKey is LJQYQXBZUSBNTN-IZLXSDGUSA-N. The full InChI is InChI=1S/C29H30N2O2S/c1-33-28-27(30-26(32)21-23-12-8-20-34-23)24-13-5-6-14-25(24)29(28)15-18-31(19-16-29)17-7-11-22-9-3-2-4-10-22/h2-6,8-10,12-14,20,27-28H,15-19,21H2,1H3,(H,30,32)/t27-,28+/m1/s1.

What are the key properties of N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide?

N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide has a molecular weight of 470.64 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-methoxy-1'-(3-phenylprop-2-ynyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42449927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).