1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one

C18H25N3OS — CID 71929708

About 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one

1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one (PubChem CID 71929708) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one
• PubChem CID: 71929708
• Molecular Formula: C18H25N3OS
• Molecular Weight: 331.49 g/mol
• Exact Mass: 331.17
• IUPAC Name: 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one
• SMILES: CC(C)c1csc(C2CCCN(Cc3ccn(C)c(=O)c3)C2)n1
• InChI: InChI=1S/C18H25N3OS/c1-13(2)16-12-23-18(19-16)15-5-4-7-21(11-15)10-14-6-8-20(3)17(22)9-14/h6,8-9,12-13,15H,4-5,7,10-11H2,1-3H3
• InChIKey: QCPBSHJCYJUWDQ-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 38.13 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.49
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one?

The IUPAC name of 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one (CID 71929708) is 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one.

What is the SMILES notation for 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one?

The canonical SMILES for 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one is CC(C)c1csc(C2CCCN(Cc3ccn(C)c(=O)c3)C2)n1.

What is the InChIKey of 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one?

The InChIKey is QCPBSHJCYJUWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13(2)16-12-23-18(19-16)15-5-4-7-21(11-15)10-14-6-8-20(3)17(22)9-14/h6,8-9,12-13,15H,4-5,7,10-11H2,1-3H3.

What are the key properties of 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one?

1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one has a molecular weight of 331.49 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 71929708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).