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

C22H34N2O4 — CID 118754439

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

N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (PubChem CID 118754439) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
• PubChem CID: 118754439
• Molecular Formula: C22H34N2O4
• Molecular Weight: 390.52 g/mol
• Exact Mass: 390.25
• IUPAC Name: N-[(1R,2R)-1'-(2-hydroxyethyl)-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(CCO)CC2
• InChI: InChI=1S/C22H34N2O4/c1-16(2)21(26)23-19-17-6-4-5-7-18(17)22(20(19)28-15-14-27-3)8-10-24(11-9-22)12-13-25/h4-7,16,19-20,25H,8-15H2,1-3H3,(H,23,26)/t19-,20+/m1/s1
• InChIKey: OMQFJYOLWKGOSI-UXHICEINSA-N
• XLogP: 1.87
• TPSA: 71.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.52
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
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-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?

The IUPAC name of N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (CID 118754439) is N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

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

The canonical SMILES for N-[(1R,2R)-1'-(2-hydroxyethyl)-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(CCO)CC2.

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

The InChIKey is OMQFJYOLWKGOSI-UXHICEINSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-16(2)21(26)23-19-17-6-4-5-7-18(17)22(20(19)28-15-14-27-3)8-10-24(11-9-22)12-13-25/h4-7,16,19-20,25H,8-15H2,1-3H3,(H,23,26)/t19-,20+/m1/s1.

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

N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide has a molecular weight of 390.52 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is sourced from PubChem (CID 118754439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).