(6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C22H33N3O3 — CID 97122352

About (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97122352) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97122352
• Molecular Formula: C22H33N3O3
• Molecular Weight: 387.52 g/mol
• Exact Mass: 387.25
• IUPAC Name: (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: COCCN1C[C@@]2(CCCN(C(=O)CN(C)Cc3ccccc3)C2)CCC1=O
• InChI: InChI=1S/C22H33N3O3/c1-23(15-19-7-4-3-5-8-19)16-21(27)24-12-6-10-22(17-24)11-9-20(26)25(18-22)13-14-28-2/h3-5,7-8H,6,9-18H2,1-2H3/t22-/m0/s1
• InChIKey: MQNUBDCGVOJFLU-QFIPXVFZSA-N
• XLogP: 2.00
• TPSA: 53.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.52
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97122352) is (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1C[C@@]2(CCCN(C(=O)CN(C)Cc3ccccc3)C2)CCC1=O.

What is the InChIKey of (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is MQNUBDCGVOJFLU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-23(15-19-7-4-3-5-8-19)16-21(27)24-12-6-10-22(17-24)11-9-20(26)25(18-22)13-14-28-2/h3-5,7-8H,6,9-18H2,1-2H3/t22-/m0/s1.

What are the key properties of (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 387.52 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97122352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).