(4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone

C27H34N6O — CID 90514534

About (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone (PubChem CID 90514534) has the molecular formula C27H34N6O and a molecular weight of 458.61 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
• PubChem CID: 90514534
• Molecular Formula: C27H34N6O
• Molecular Weight: 458.61 g/mol
• Exact Mass: 458.28
• IUPAC Name: (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
• SMILES: Cc1cc(C)n(-c2ccc(N3CCCC(C(=O)N4CCC(Cc5ccccc5)CC4)C3)nn2)n1
• InChI: InChI=1S/C27H34N6O/c1-20-17-21(2)33(30-20)26-11-10-25(28-29-26)32-14-6-9-24(19-32)27(34)31-15-12-23(13-16-31)18-22-7-4-3-5-8-22/h3-5,7-8,10-11,17,23-24H,6,9,12-16,18-19H2,1-2H3
• InChIKey: YGPFCLQREIIVCN-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.61
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The IUPAC name of (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone (CID 90514534) is (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone.

What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone is Cc1cc(C)n(-c2ccc(N3CCCC(C(=O)N4CCC(Cc5ccccc5)CC4)C3)nn2)n1.

What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The InChIKey is YGPFCLQREIIVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O/c1-20-17-21(2)33(30-20)26-11-10-25(28-29-26)32-14-6-9-24(19-32)27(34)31-15-12-23(13-16-31)18-22-7-4-3-5-8-22/h3-5,7-8,10-11,17,23-24H,6,9,12-16,18-19H2,1-2H3.

What are the key properties of (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

(4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone has a molecular weight of 458.61 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-benzylpiperidin-1-yl)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 90514534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).