6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

C22H26N4O3 — CID 131652078

About 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131652078) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

• Compound Name: 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
• PubChem CID: 131652078
• Molecular Formula: C22H26N4O3
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.20
• IUPAC Name: 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
• SMILES: COc1ccc(CN2CCC3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)cc1
• InChI: InChI=1S/C22H26N4O3/c1-17(27)26-14-21(28)25(19-4-3-10-23-12-19)16-22(26)9-11-24(15-22)13-18-5-7-20(29-2)8-6-18/h3-8,10,12H,9,11,13-16H2,1-2H3
• InChIKey: UKIQUPFIMJIPJM-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 65.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The IUPAC name of 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131652078) is 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

What is the SMILES notation for 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The canonical SMILES for 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is COc1ccc(CN2CCC3(C2)CN(c2cccnc2)C(=O)CN3C(C)=O)cc1.

What is the InChIKey of 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The InChIKey is UKIQUPFIMJIPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-17(27)26-14-21(28)25(19-4-3-10-23-12-19)16-22(26)9-11-24(15-22)13-18-5-7-20(29-2)8-6-18/h3-8,10,12H,9,11,13-16H2,1-2H3.

What are the key properties of 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 394.48 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-2-[(4-methoxyphenyl)methyl]-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131652078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).