5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one

C23H34N4O3 — CID 128970049

About 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one

5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one (PubChem CID 128970049) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one.

Molecular Properties

• Compound Name: 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one
• PubChem CID: 128970049
• Molecular Formula: C23H34N4O3
• Molecular Weight: 414.55 g/mol
• Exact Mass: 414.26
• IUPAC Name: 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one
• SMILES: COCCN(C)c1cnn(C2CCCN(Cc3cccc(OC(C)C)c3)C2)c(=O)c1
• InChI: InChI=1S/C23H34N4O3/c1-18(2)30-22-9-5-7-19(13-22)16-26-10-6-8-20(17-26)27-23(28)14-21(15-24-27)25(3)11-12-29-4/h5,7,9,13-15,18,20H,6,8,10-12,16-17H2,1-4H3
• InChIKey: XWVLLZMKIRRXKV-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 59.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.55
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one?

The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one (CID 128970049) is 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one.

What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one?

The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one is COCCN(C)c1cnn(C2CCCN(Cc3cccc(OC(C)C)c3)C2)c(=O)c1.

What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one?

The InChIKey is XWVLLZMKIRRXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-18(2)30-22-9-5-7-19(13-22)16-26-10-6-8-20(17-26)27-23(28)14-21(15-24-27)25(3)11-12-29-4/h5,7,9,13-15,18,20H,6,8,10-12,16-17H2,1-4H3.

What are the key properties of 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one?

5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one has a molecular weight of 414.55 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-methoxyethyl(methyl)amino]-2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 128970049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).