7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane

C23H34N4O2 — CID 45229161

About 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane

7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane (PubChem CID 45229161) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane
• PubChem CID: 45229161
• Molecular Formula: C23H34N4O2
• Molecular Weight: 398.55 g/mol
• Exact Mass: 398.27
• IUPAC Name: 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane
• SMILES: COc1cccc(CN2CCCC3(CCN(CCCn4cccn4)C3)C2)c1OC
• InChI: InChI=1S/C23H34N4O2/c1-28-21-8-3-7-20(22(21)29-2)17-26-12-4-9-23(19-26)10-16-25(18-23)13-6-15-27-14-5-11-24-27/h3,5,7-8,11,14H,4,6,9-10,12-13,15-19H2,1-2H3
• InChIKey: CNTJKPVSUWLLDK-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.55
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane?

The IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane (CID 45229161) is 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane.

What is the SMILES notation for 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane?

The canonical SMILES for 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane is COc1cccc(CN2CCCC3(CCN(CCCn4cccn4)C3)C2)c1OC.

What is the InChIKey of 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane?

The InChIKey is CNTJKPVSUWLLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-28-21-8-3-7-20(22(21)29-2)17-26-12-4-9-23(19-26)10-16-25(18-23)13-6-15-27-14-5-11-24-27/h3,5,7-8,11,14H,4,6,9-10,12-13,15-19H2,1-2H3.

What are the key properties of 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane?

7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 398.55 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2,3-dimethoxyphenyl)methyl]-2-(3-pyrazol-1-ylpropyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 45229161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).