3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane

C23H33N3O3 — CID 143841564

About 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane

3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane (PubChem CID 143841564) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane.

Molecular Properties

• Compound Name: 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane
• PubChem CID: 143841564
• Molecular Formula: C23H33N3O3
• Molecular Weight: 399.54 g/mol
• Exact Mass: 399.25
• IUPAC Name: 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane
• SMILES: CC.CC1(O)C=CC(c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)=NN1
• InChI: InChI=1S/C21H27N3O3.C2H6/c1-20(25)8-7-18(22-23-20)15-5-6-19-16(13-15)14-26-21(27-19)9-11-24(12-10-21)17-3-2-4-17;1-2/h5-8,13,17,23,25H,2-4,9-12,14H2,1H3;1-2H3
• InChIKey: ZXQDVRHGANVCJX-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 66.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.54
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane?

The IUPAC name of 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane (CID 143841564) is 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane.

What is the SMILES notation for 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane?

The canonical SMILES for 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane is CC.CC1(O)C=CC(c2ccc3c(c2)COC2(CCN(C4CCC4)CC2)O3)=NN1.

What is the InChIKey of 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane?

The InChIKey is ZXQDVRHGANVCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.C2H6/c1-20(25)8-7-18(22-23-20)15-5-6-19-16(13-15)14-26-21(27-19)9-11-24(12-10-21)17-3-2-4-17;1-2/h5-8,13,17,23,25H,2-4,9-12,14H2,1H3;1-2H3.

What are the key properties of 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane?

3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane has a molecular weight of 399.54 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1'-cyclobutylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-yl)-6-methyl-1H-pyridazin-6-ol;ethane is sourced from PubChem (CID 143841564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).