1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone

C20H28N6O2S — CID 127249718

About 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 127249718) has the molecular formula C20H28N6O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
• PubChem CID: 127249718
• Molecular Formula: C20H28N6O2S
• Molecular Weight: 416.55 g/mol
• Exact Mass: 416.20
• IUPAC Name: 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
• SMILES: Cc1nnc(Nc2cccc(C3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)s1
• InChI: InChI=1S/C20H28N6O2S/c1-14-6-8-26(9-7-14)19(27)13-25-10-11-28-17(12-25)16-4-3-5-18(21-16)22-20-24-23-15(2)29-20/h3-5,14,17H,6-13H2,1-2H3,(H,21,22,24)
• InChIKey: VDWQLSRBQBXGTO-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 83.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.55
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone (CID 127249718) is 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone.

What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone is Cc1nnc(Nc2cccc(C3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)s1.

What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

The InChIKey is VDWQLSRBQBXGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2S/c1-14-6-8-26(9-7-14)19(27)13-25-10-11-28-17(12-25)16-4-3-5-18(21-16)22-20-24-23-15(2)29-20/h3-5,14,17H,6-13H2,1-2H3,(H,21,22,24).

What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?

1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 416.55 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 127249718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).