N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide

C23H34N4O2 — CID 134787720

About N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide

N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide (PubChem CID 134787720) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide
• PubChem CID: 134787720
• Molecular Formula: C23H34N4O2
• Molecular Weight: 398.55 g/mol
• Exact Mass: 398.27
• IUPAC Name: N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide
• SMILES: CC(=O)NCC(=O)N1Cc2ccccc2CC2(CCCN2CC2CCNCC2)C1
• InChI: InChI=1S/C23H34N4O2/c1-18(28)25-14-22(29)26-16-21-6-3-2-5-20(21)13-23(17-26)9-4-12-27(23)15-19-7-10-24-11-8-19/h2-3,5-6,19,24H,4,7-17H2,1H3,(H,25,28)
• InChIKey: AKTUZHCJOZYRSS-UHFFFAOYSA-N
• XLogP: 1.54
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.55
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide?

The IUPAC name of N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide (CID 134787720) is N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide.

What is the SMILES notation for N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide?

The canonical SMILES for N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide is CC(=O)NCC(=O)N1Cc2ccccc2CC2(CCCN2CC2CCNCC2)C1.

What is the InChIKey of N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide?

The InChIKey is AKTUZHCJOZYRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-18(28)25-14-22(29)26-16-21-6-3-2-5-20(21)13-23(17-26)9-4-12-27(23)15-19-7-10-24-11-8-19/h2-3,5-6,19,24H,4,7-17H2,1H3,(H,25,28).

What are the key properties of N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide?

N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide has a molecular weight of 398.55 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethyl]acetamide is sourced from PubChem (CID 134787720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).