N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide

C24H35N3O3 — CID 134791012

About N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide

N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide (PubChem CID 134791012) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide
• PubChem CID: 134791012
• Molecular Formula: C24H35N3O3
• Molecular Weight: 413.56 g/mol
• Exact Mass: 413.27
• IUPAC Name: N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide
• SMILES: CC(=O)NCC(=O)N1Cc2ccccc2CC2(CCN(CC3CCOCC3)CC2)C1
• InChI: InChI=1S/C24H35N3O3/c1-19(28)25-15-23(29)27-17-22-5-3-2-4-21(22)14-24(18-27)8-10-26(11-9-24)16-20-6-12-30-13-7-20/h2-5,20H,6-18H2,1H3,(H,25,28)
• InChIKey: ZNCQLWFRIZAZCE-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.56
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide (CID 134791012) is N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1Cc2ccccc2CC2(CCN(CC3CCOCC3)CC2)C1.

What is the InChIKey of N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide?

The InChIKey is ZNCQLWFRIZAZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-19(28)25-15-23(29)27-17-22-5-3-2-4-21(22)14-24(18-27)8-10-26(11-9-24)16-20-6-12-30-13-7-20/h2-5,20H,6-18H2,1H3,(H,25,28).

What are the key properties of N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide?

N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide has a molecular weight of 413.56 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 134791012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).