2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C25H33N3O3 — CID 70692602

About 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 70692602) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
• PubChem CID: 70692602
• Molecular Formula: C25H33N3O3
• Molecular Weight: 423.56 g/mol
• Exact Mass: 423.25
• IUPAC Name: 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
• SMILES: CCCOc1ccc(CN2CC3(CCN(C(=O)Cc4ccc(OC)cc4)CC3)C2)cn1
• InChI: InChI=1S/C25H33N3O3/c1-3-14-31-23-9-6-21(16-26-23)17-27-18-25(19-27)10-12-28(13-11-25)24(29)15-20-4-7-22(30-2)8-5-20/h4-9,16H,3,10-15,17-19H2,1-2H3
• InChIKey: JVLMJTHFAZVCKD-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 54.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.56
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?

The IUPAC name of 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 70692602) is 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

What is the SMILES notation for 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?

The canonical SMILES for 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is CCCOc1ccc(CN2CC3(CCN(C(=O)Cc4ccc(OC)cc4)CC3)C2)cn1.

What is the InChIKey of 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?

The InChIKey is JVLMJTHFAZVCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-14-31-23-9-6-21(16-26-23)17-27-18-25(19-27)10-12-28(13-11-25)24(29)15-20-4-7-22(30-2)8-5-20/h4-9,16H,3,10-15,17-19H2,1-2H3.

What are the key properties of 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?

2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 423.56 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 70692602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).