1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C23H25N5O3S — CID 42813188

About 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 42813188) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 42813188
• Molecular Formula: C23H25N5O3S
• Molecular Weight: 451.55 g/mol
• Exact Mass: 451.17
• IUPAC Name: 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• SMILES: COc1ccc(Nc2nc(C(=O)N3CCCC(C(=O)NCc4cccnc4)C3)cs2)cc1
• InChI: InChI=1S/C23H25N5O3S/c1-31-19-8-6-18(7-9-19)26-23-27-20(15-32-23)22(30)28-11-3-5-17(14-28)21(29)25-13-16-4-2-10-24-12-16/h2,4,6-10,12,15,17H,3,5,11,13-14H2,1H3,(H,25,29)(H,26,27)
• InChIKey: COVJDGFLXOMLKZ-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.55
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 42813188) is 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is COc1ccc(Nc2nc(C(=O)N3CCCC(C(=O)NCc4cccnc4)C3)cs2)cc1.

What is the InChIKey of 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

The InChIKey is COVJDGFLXOMLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-31-19-8-6-18(7-9-19)26-23-27-20(15-32-23)22(30)28-11-3-5-17(14-28)21(29)25-13-16-4-2-10-24-12-16/h2,4,6-10,12,15,17H,3,5,11,13-14H2,1H3,(H,25,29)(H,26,27).

What are the key properties of 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?

1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42813188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).