N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide

C26H35N3O2 — CID 58815582

About N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide

N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide (PubChem CID 58815582) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide
• PubChem CID: 58815582
• Molecular Formula: C26H35N3O2
• Molecular Weight: 421.59 g/mol
• Exact Mass: 421.27
• IUPAC Name: N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide
• SMILES: O=C(N[C@H]1CC2(CCN(CC3CC4C=CC3C4)CC2)c2ccccc21)N1CCOCC1
• InChI: InChI=1S/C26H35N3O2/c30-25(29-11-13-31-14-12-29)27-24-17-26(23-4-2-1-3-22(23)24)7-9-28(10-8-26)18-21-16-19-5-6-20(21)15-19/h1-6,19-21,24H,7-18H2,(H,27,30)/t19?,20?,21?,24-/m0/s1
• InChIKey: FESJYSOULJQHJB-HFHBMHTISA-N
• XLogP: 3.72
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.59
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide?

The IUPAC name of N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide (CID 58815582) is N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide.

What is the SMILES notation for N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide?

The canonical SMILES for N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide is O=C(N[C@H]1CC2(CCN(CC3CC4C=CC3C4)CC2)c2ccccc21)N1CCOCC1.

What is the InChIKey of N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide?

The InChIKey is FESJYSOULJQHJB-HFHBMHTISA-N. The full InChI is InChI=1S/C26H35N3O2/c30-25(29-11-13-31-14-12-29)27-24-17-26(23-4-2-1-3-22(23)24)7-9-28(10-8-26)18-21-16-19-5-6-20(21)15-19/h1-6,19-21,24H,7-18H2,(H,27,30)/t19?,20?,21?,24-/m0/s1.

What are the key properties of N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide?

N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine-4-carboxamide is sourced from PubChem (CID 58815582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).