1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone

C22H28N2O2S — CID 25309622

About 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone

1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone (PubChem CID 25309622) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone.

Molecular Properties

• Compound Name: 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
• PubChem CID: 25309622
• Molecular Formula: C22H28N2O2S
• Molecular Weight: 384.55 g/mol
• Exact Mass: 384.19
• IUPAC Name: 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
• SMILES: COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cc4ccsc4)C3)C2)c1
• InChI: InChI=1S/C22H28N2O2S/c1-26-20-5-2-4-18(12-20)14-23-9-3-7-22(16-23)8-10-24(17-22)21(25)13-19-6-11-27-15-19/h2,4-6,11-12,15H,3,7-10,13-14,16-17H2,1H3/t22-/m1/s1
• InChIKey: RJBCUWOCQGBJNU-JOCHJYFZSA-N
• XLogP: 3.81
• TPSA: 32.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.55
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?

The IUPAC name of 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone (CID 25309622) is 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone.

What is the SMILES notation for 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?

The canonical SMILES for 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone is COc1cccc(CN2CCC[C@@]3(CCN(C(=O)Cc4ccsc4)C3)C2)c1.

What is the InChIKey of 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?

The InChIKey is RJBCUWOCQGBJNU-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-26-20-5-2-4-18(12-20)14-23-9-3-7-22(16-23)8-10-24(17-22)21(25)13-19-6-11-27-15-19/h2,4-6,11-12,15H,3,7-10,13-14,16-17H2,1H3/t22-/m1/s1.

What are the key properties of 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone?

1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone has a molecular weight of 384.55 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 25309622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).