cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid

C22H35F3N2O5 — CID 155843206

About cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid

cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155843206) has the molecular formula C22H35F3N2O5 and a molecular weight of 464.53 g/mol. Its IUPAC name is cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155843206
• Molecular Formula: C22H35F3N2O5
• Molecular Weight: 464.53 g/mol
• Exact Mass: 464.25
• IUPAC Name: cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
• SMILES: COCCN1CC2(CCN(C(=O)C3=CCCCC3)CC2)CC1COC.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H34N2O3.C2HF3O2/c1-24-13-12-22-16-20(14-18(22)15-25-2)8-10-21(11-9-20)19(23)17-6-4-3-5-7-17;3-2(4,5)1(6)7/h6,18H,3-5,7-16H2,1-2H3;(H,6,7)
• InChIKey: ISCRXDZQWDTRGI-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 79.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.53
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid (CID 155843206) is cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid is COCCN1CC2(CCN(C(=O)C3=CCCCC3)CC2)CC1COC.O=C(O)C(F)(F)F.

What is the InChIKey of cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is ISCRXDZQWDTRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3.C2HF3O2/c1-24-13-12-22-16-20(14-18(22)15-25-2)8-10-21(11-9-20)19(23)17-6-4-3-5-7-17;3-2(4,5)1(6)7/h6,18H,3-5,7-16H2,1-2H3;(H,6,7).

What are the key properties of cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?

cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 464.53 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexen-1-yl-[2-(2-methoxyethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155843206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).