6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

C22H29N5O2S — CID 110264374

About 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide

6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 110264374) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 110264374
• Molecular Formula: C22H29N5O2S
• Molecular Weight: 427.57 g/mol
• Exact Mass: 427.20
• IUPAC Name: 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
• SMILES: CC1CCCN(CC(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)C1
• InChI: InChI=1S/C22H29N5O2S/c1-16-3-2-9-26(14-16)15-20(28)27-10-6-17(7-11-27)19-5-4-18(13-24-19)21(29)25-22-23-8-12-30-22/h4-5,8,12-13,16-17H,2-3,6-7,9-11,14-15H2,1H3,(H,23,25,29)
• InChIKey: XVGGMKNPYGWEON-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.57
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 110264374) is 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is CC1CCCN(CC(=O)N2CCC(c3ccc(C(=O)Nc4nccs4)cn3)CC2)C1.

What is the InChIKey of 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is XVGGMKNPYGWEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-16-3-2-9-26(14-16)15-20(28)27-10-6-17(7-11-27)19-5-4-18(13-24-19)21(29)25-22-23-8-12-30-22/h4-5,8,12-13,16-17H,2-3,6-7,9-11,14-15H2,1H3,(H,23,25,29).

What are the key properties of 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide?

6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110264374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).