1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide

C25H35N3O — CID 59432279

About 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide

1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide (PubChem CID 59432279) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide
• PubChem CID: 59432279
• Molecular Formula: C25H35N3O
• Molecular Weight: 393.58 g/mol
• Exact Mass: 393.28
• IUPAC Name: 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide
• SMILES: CN(C)C(=O)N1CCCC2(CCN(CC3CC4C=CC3C4)CC2)c2ccccc21
• InChI: InChI=1S/C25H35N3O/c1-26(2)24(29)28-13-5-10-25(22-6-3-4-7-23(22)28)11-14-27(15-12-25)18-21-17-19-8-9-20(21)16-19/h3-4,6-9,19-21H,5,10-18H2,1-2H3
• InChIKey: MUXRTEIIRLLAJC-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 26.79 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.58
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide?

The IUPAC name of 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide (CID 59432279) is 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide.

What is the SMILES notation for 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide?

The canonical SMILES for 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CCCC2(CCN(CC3CC4C=CC3C4)CC2)c2ccccc21.

What is the InChIKey of 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide?

The InChIKey is MUXRTEIIRLLAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-26(2)24(29)28-13-5-10-25(22-6-3-4-7-23(22)28)11-14-27(15-12-25)18-21-17-19-8-9-20(21)16-19/h3-4,6-9,19-21H,5,10-18H2,1-2H3.

What are the key properties of 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide?

1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide has a molecular weight of 393.58 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N,N-dimethylspiro[3,4-dihydro-2H-1-benzazepine-5,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59432279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).