[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone

C20H27N5OS — CID 53200889

About [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone

[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 53200889) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

• Compound Name: [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
• PubChem CID: 53200889
• Molecular Formula: C20H27N5OS
• Molecular Weight: 385.54 g/mol
• Exact Mass: 385.19
• IUPAC Name: [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
• SMILES: CC1CCN(Cc2csc(N3CCN(C(=O)c4cccnc4)CC3)n2)CC1
• InChI: InChI=1S/C20H27N5OS/c1-16-4-7-23(8-5-16)14-18-15-27-20(22-18)25-11-9-24(10-12-25)19(26)17-3-2-6-21-13-17/h2-3,6,13,15-16H,4-5,7-12,14H2,1H3
• InChIKey: AFUIQCKKDASINO-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 52.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.54
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone?

The IUPAC name of [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone (CID 53200889) is [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone.

What is the SMILES notation for [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone?

The canonical SMILES for [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone is CC1CCN(Cc2csc(N3CCN(C(=O)c4cccnc4)CC3)n2)CC1.

What is the InChIKey of [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone?

The InChIKey is AFUIQCKKDASINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-16-4-7-23(8-5-16)14-18-15-27-20(22-18)25-11-9-24(10-12-25)19(26)17-3-2-6-21-13-17/h2-3,6,13,15-16H,4-5,7-12,14H2,1H3.

What are the key properties of [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone?

[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 385.54 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 53200889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).