N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

C24H24N4O4 — CID 53204022

About N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53204022) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
• PubChem CID: 53204022
• Molecular Formula: C24H24N4O4
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.18
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1
• InChI: InChI=1S/C24H24N4O4/c29-23-12-20(13-25-28(23)14-17-5-2-1-3-6-17)27-10-4-7-18(15-27)24(30)26-19-8-9-21-22(11-19)32-16-31-21/h1-3,5-6,8-9,11-13,18H,4,7,10,14-16H2,(H,26,30)
• InChIKey: YTXMLPFSMSVRTJ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide (CID 53204022) is N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?

The InChIKey is YTXMLPFSMSVRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-23-12-20(13-25-28(23)14-17-5-2-1-3-6-17)27-10-4-7-18(15-27)24(30)26-19-8-9-21-22(11-19)32-16-31-21/h1-3,5-6,8-9,11-13,18H,4,7,10,14-16H2,(H,26,30).

What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide?

N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53204022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).