ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate

C24H32N2O2 — CID 70657726

About ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate

ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate (PubChem CID 70657726) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate
• PubChem CID: 70657726
• Molecular Formula: C24H32N2O2
• Molecular Weight: 380.53 g/mol
• Exact Mass: 380.25
• IUPAC Name: ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate
• SMILES: CCOC(=O)N[C@H]1CC2(CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c2ccccc21
• InChI: InChI=1S/C24H32N2O2/c1-2-28-23(27)25-22-15-24(21-6-4-3-5-20(21)22)9-11-26(12-10-24)16-19-14-17-7-8-18(19)13-17/h3-8,17-19,22H,2,9-16H2,1H3,(H,25,27)/t17-,18+,19+,22-/m0/s1
• InChIKey: DDJNXSLBEFSVEY-JYLXEMOASA-N
• XLogP: 4.42
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.53
LogP ≤ 5	4.42
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 ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate?

The IUPAC name of ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate (CID 70657726) is ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate.

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

The canonical SMILES for ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate is CCOC(=O)N[C@H]1CC2(CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c2ccccc21.

What is the InChIKey of ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate?

The InChIKey is DDJNXSLBEFSVEY-JYLXEMOASA-N. The full InChI is InChI=1S/C24H32N2O2/c1-2-28-23(27)25-22-15-24(21-6-4-3-5-20(21)22)9-11-26(12-10-24)16-19-14-17-7-8-18(19)13-17/h3-8,17-19,22H,2,9-16H2,1H3,(H,25,27)/t17-,18+,19+,22-/m0/s1.

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

ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate has a molecular weight of 380.53 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[(1S)-1'-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]carbamate is sourced from PubChem (CID 70657726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).