N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

C30H37N3O3 — CID 133117847

About N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 133117847) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
• PubChem CID: 133117847
• Molecular Formula: C30H37N3O3
• Molecular Weight: 487.64 g/mol
• Exact Mass: 487.28
• IUPAC Name: N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
• SMILES: CCC(=O)N[C@H]1c2ccccc2C2(CCN(C(=O)CC3=CCCCC3)CC2)[C@@H]1OCc1cccnc1
• InChI: InChI=1S/C30H37N3O3/c1-2-26(34)32-28-24-12-6-7-13-25(24)30(29(28)36-21-23-11-8-16-31-20-23)14-17-33(18-15-30)27(35)19-22-9-4-3-5-10-22/h6-9,11-13,16,20,28-29H,2-5,10,14-15,17-19,21H2,1H3,(H,32,34)/t28-,29+/m0/s1
• InChIKey: LYCZYGLKONRYDI-URLMMPGGSA-N
• XLogP: 5.00
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.64
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

The IUPAC name of N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (CID 133117847) is N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

What is the SMILES notation for N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

The canonical SMILES for N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is CCC(=O)N[C@H]1c2ccccc2C2(CCN(C(=O)CC3=CCCCC3)CC2)[C@@H]1OCc1cccnc1.

What is the InChIKey of N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

The InChIKey is LYCZYGLKONRYDI-URLMMPGGSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-2-26(34)32-28-24-12-6-7-13-25(24)30(29(28)36-21-23-11-8-16-31-20-23)14-17-33(18-15-30)27(35)19-22-9-4-3-5-10-22/h6-9,11-13,16,20,28-29H,2-5,10,14-15,17-19,21H2,1H3,(H,32,34)/t28-,29+/m0/s1.

What are the key properties of N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?

N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 487.64 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-1'-[2-(cyclohexen-1-yl)acetyl]-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 133117847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).