[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone

C26H29N5O3 — CID 121070612

About [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone (PubChem CID 121070612) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
• PubChem CID: 121070612
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
• SMILES: Cc1ccccc1-c1ccc(N2CCCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)nn1
• InChI: InChI=1S/C26H29N5O3/c1-19-6-2-3-8-21(19)22-10-11-24(28-27-22)31-12-4-7-20(18-31)25(32)29-13-15-30(16-14-29)26(33)23-9-5-17-34-23/h2-3,5-6,8-11,17,20H,4,7,12-16,18H2,1H3
• InChIKey: GDKPBSPCYPBGLC-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 82.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?

The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone (CID 121070612) is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone.

What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?

The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone is Cc1ccccc1-c1ccc(N2CCCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)nn1.

What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?

The InChIKey is GDKPBSPCYPBGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-19-6-2-3-8-21(19)22-10-11-24(28-27-22)31-12-4-7-20(18-31)25(32)29-13-15-30(16-14-29)26(33)23-9-5-17-34-23/h2-3,5-6,8-11,17,20H,4,7,12-16,18H2,1H3.

What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone has a molecular weight of 459.55 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 121070612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).