1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

C24H29N5OS — CID 158814116

About 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone

1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 158814116) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
• PubChem CID: 158814116
• Molecular Formula: C24H29N5OS
• Molecular Weight: 435.60 g/mol
• Exact Mass: 435.21
• IUPAC Name: 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone
• SMILES: CN1CCC(N2CCC(C(=O)Cc3cc4cc(-c5cncs5)ncc4cn3)CC2)CC1
• InChI: InChI=1S/C24H29N5OS/c1-28-6-4-21(5-7-28)29-8-2-17(3-9-29)23(30)12-20-10-18-11-22(24-15-25-16-31-24)27-14-19(18)13-26-20/h10-11,13-17,21H,2-9,12H2,1H3
• InChIKey: IVAZKYCANBHUAB-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 62.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.60
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

The IUPAC name of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone (CID 158814116) is 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone.

What is the SMILES notation for 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

The canonical SMILES for 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is CN1CCC(N2CCC(C(=O)Cc3cc4cc(-c5cncs5)ncc4cn3)CC2)CC1.

What is the InChIKey of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

The InChIKey is IVAZKYCANBHUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-28-6-4-21(5-7-28)29-8-2-17(3-9-29)23(30)12-20-10-18-11-22(24-15-25-16-31-24)27-14-19(18)13-26-20/h10-11,13-17,21H,2-9,12H2,1H3.

What are the key properties of 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone?

1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 435.60 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[6-(1,3-thiazol-5-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 158814116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).