1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide

C27H32N4O — CID 53004882

About 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide

1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 53004882) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 53004882
• Molecular Formula: C27H32N4O
• Molecular Weight: 428.58 g/mol
• Exact Mass: 428.26
• IUPAC Name: 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ccc(-c2ccc(N3CCCC(C(=O)NCc4ccc(C(C)C)cc4)C3)nn2)cc1
• InChI: InChI=1S/C27H32N4O/c1-19(2)22-12-8-21(9-13-22)17-28-27(32)24-5-4-16-31(18-24)26-15-14-25(29-30-26)23-10-6-20(3)7-11-23/h6-15,19,24H,4-5,16-18H2,1-3H3,(H,28,32)
• InChIKey: DTMHEIDNNCKOHQ-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.58
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?

The IUPAC name of 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 53004882) is 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(-c2ccc(N3CCCC(C(=O)NCc4ccc(C(C)C)cc4)C3)nn2)cc1.

What is the InChIKey of 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is DTMHEIDNNCKOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-19(2)22-12-8-21(9-13-22)17-28-27(32)24-5-4-16-31(18-24)26-15-14-25(29-30-26)23-10-6-20(3)7-11-23/h6-15,19,24H,4-5,16-18H2,1-3H3,(H,28,32).

What are the key properties of 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide?

1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(4-methylphenyl)pyridazin-3-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53004882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).