(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide

C25H27FN4O4 — CID 95069535

About (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 95069535) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
• PubChem CID: 95069535
• Molecular Formula: C25H27FN4O4
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.20
• IUPAC Name: (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
• SMILES: COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)c1
• InChI: InChI=1S/C25H27FN4O4/c1-33-21-8-9-22(34-2)18(13-21)15-27-25(32)17-5-4-12-29(16-17)23-10-11-24(31)30(28-23)20-7-3-6-19(26)14-20/h3,6-11,13-14,17H,4-5,12,15-16H2,1-2H3,(H,27,32)/t17-/m1/s1
• InChIKey: LIICEKZOOWEIOC-QGZVFWFLSA-N
• XLogP: 2.92
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide (CID 95069535) is (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide is COc1ccc(OC)c(CNC(=O)[C@@H]2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)c1.

What is the InChIKey of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide?

The InChIKey is LIICEKZOOWEIOC-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-33-21-8-9-22(34-2)18(13-21)15-27-25(32)17-5-4-12-29(16-17)23-10-11-24(31)30(28-23)20-7-3-6-19(26)14-20/h3,6-11,13-14,17H,4-5,12,15-16H2,1-2H3,(H,27,32)/t17-/m1/s1.

What are the key properties of (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide?

(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95069535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).