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

C21H32N4O3 — CID 97273637

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

(6R)-2-(2-methoxyethyl)-8-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97273637) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is (6R)-2-(2-methoxyethyl)-8-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-2-(2-methoxyethyl)-8-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97273637
• Molecular Formula: C21H32N4O3
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.25
• IUPAC Name: (6R)-2-(2-methoxyethyl)-8-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: COCCN1C[C@@]2(CCCN(C(=O)CN(C)Cc3cccnc3)C2)CCC1=O
• InChI: InChI=1S/C21H32N4O3/c1-23(14-18-5-3-9-22-13-18)15-20(27)24-10-4-7-21(16-24)8-6-19(26)25(17-21)11-12-28-2/h3,5,9,13H,4,6-8,10-12,14-17H2,1-2H3/t21-/m0/s1
• InChIKey: BYUWFHMFOLAXTL-NRFANRHFSA-N
• XLogP: 1.39
• TPSA: 65.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-2-(2-methoxyethyl)-8-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97273637) is (6R)-2-(2-methoxyethyl)-8-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

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

The canonical SMILES for (6R)-2-(2-methoxyethyl)-8-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one is COCCN1C[C@@]2(CCCN(C(=O)CN(C)Cc3cccnc3)C2)CCC1=O.

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

The InChIKey is BYUWFHMFOLAXTL-NRFANRHFSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-23(14-18-5-3-9-22-13-18)15-20(27)24-10-4-7-21(16-24)8-6-19(26)25(17-21)11-12-28-2/h3,5,9,13H,4,6-8,10-12,14-17H2,1-2H3/t21-/m0/s1.

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

(6R)-2-(2-methoxyethyl)-8-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 388.51 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-(2-methoxyethyl)-8-[2-[methyl(pyridin-3-ylmethyl)amino]acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97273637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).