(2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid

C29H38F3N3O6 — CID 69436535

About (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid

(2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 69436535) has the molecular formula C29H38F3N3O6 and a molecular weight of 581.63 g/mol. Its IUPAC name is (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 69436535
• Molecular Formula: C29H38F3N3O6
• Molecular Weight: 581.63 g/mol
• Exact Mass: 581.27
• IUPAC Name: (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: COc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2)c(OC)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C27H37N3O4.C2HF3O2/c1-20(2)18-34-23-8-6-5-7-21(23)17-29-14-11-27(12-15-29)13-16-30(19-27)26(31)22-9-10-24(32-3)28-25(22)33-4;3-2(4,5)1(6)7/h5-10,20H,11-19H2,1-4H3;(H,6,7)
• InChIKey: AVWFFVIHSXYSCE-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 101.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.63
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid (CID 69436535) is (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid is COc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2)c(OC)n1.O=C(O)C(F)(F)F.

What is the InChIKey of (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is AVWFFVIHSXYSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4.C2HF3O2/c1-20(2)18-34-23-8-6-5-7-21(23)17-29-14-11-27(12-15-29)13-16-30(19-27)26(31)22-9-10-24(32-3)28-25(22)33-4;3-2(4,5)1(6)7/h5-10,20H,11-19H2,1-4H3;(H,6,7).

What are the key properties of (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid?

(2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 581.63 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethoxy-3-pyridinyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69436535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).