[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate

C24H37N3O3 — CID 89370753

About [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate

[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate (PubChem CID 89370753) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate.

Molecular Properties

• Compound Name: [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate
• PubChem CID: 89370753
• Molecular Formula: C24H37N3O3
• Molecular Weight: 415.58 g/mol
• Exact Mass: 415.28
• IUPAC Name: [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate
• SMILES: CCN(CC)C(=O)ON1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1
• InChI: InChI=1S/C24H37N3O3/c1-3-25(4-2)24(28)30-27-16-12-22(13-17-27)29-23-9-8-19-10-14-26(21-6-5-7-21)15-11-20(19)18-23/h8-9,18,21-22H,3-7,10-17H2,1-2H3
• InChIKey: QGOFYQUXTLOWAO-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 45.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.58
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate?

The IUPAC name of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate (CID 89370753) is [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate.

What is the SMILES notation for [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate?

The canonical SMILES for [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate is CCN(CC)C(=O)ON1CCC(Oc2ccc3c(c2)CCN(C2CCC2)CC3)CC1.

What is the InChIKey of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate?

The InChIKey is QGOFYQUXTLOWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-3-25(4-2)24(28)30-27-16-12-22(13-17-27)29-23-9-8-19-10-14-26(21-6-5-7-21)15-11-20(19)18-23/h8-9,18,21-22H,3-7,10-17H2,1-2H3.

What are the key properties of [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate?

[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate has a molecular weight of 415.58 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl] N,N-diethylcarbamate is sourced from PubChem (CID 89370753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).