N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

C29H34N2O3 — CID 42405344

About N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 42405344) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
• PubChem CID: 42405344
• Molecular Formula: C29H34N2O3
• Molecular Weight: 458.60 g/mol
• Exact Mass: 458.26
• IUPAC Name: N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
• SMILES: CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(Cc1c(O)ccc3ccccc13)CC2
• InChI: InChI=1S/C29H34N2O3/c1-3-26(33)30-27-22-11-7-8-12-24(22)29(28(27)34-4-2)15-17-31(18-16-29)19-23-21-10-6-5-9-20(21)13-14-25(23)32/h5-14,27-28,32H,3-4,15-19H2,1-2H3,(H,30,33)/t27-,28+/m1/s1
• InChIKey: DULLTBKHJUAAIX-IZLXSDGUSA-N
• XLogP: 5.07
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.60
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

The IUPAC name of N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (CID 42405344) is N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

What is the SMILES notation for N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

The canonical SMILES for N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is CCO[C@H]1[C@H](NC(=O)CC)c2ccccc2C12CCN(Cc1c(O)ccc3ccccc13)CC2.

What is the InChIKey of N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

The InChIKey is DULLTBKHJUAAIX-IZLXSDGUSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-3-26(33)30-27-22-11-7-8-12-24(22)29(28(27)34-4-2)15-17-31(18-16-29)19-23-21-10-6-5-9-20(21)13-14-25(23)32/h5-14,27-28,32H,3-4,15-19H2,1-2H3,(H,30,33)/t27-,28+/m1/s1.

What are the key properties of N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 458.60 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-ethoxy-1'-[(2-hydroxynaphthalen-1-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 42405344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).