1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one

C18H21F2N3O2S — CID 45209624

About 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one (PubChem CID 45209624) has the molecular formula C18H21F2N3O2S and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one
• PubChem CID: 45209624
• Molecular Formula: C18H21F2N3O2S
• Molecular Weight: 381.45 g/mol
• Exact Mass: 381.13
• IUPAC Name: 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one
• SMILES: Cc1csc(CNCC2(O)CCCN(Cc3cccc(F)c3F)C2=O)n1
• InChI: InChI=1S/C18H21F2N3O2S/c1-12-10-26-15(22-12)8-21-11-18(25)6-3-7-23(17(18)24)9-13-4-2-5-14(19)16(13)20/h2,4-5,10,21,25H,3,6-9,11H2,1H3
• InChIKey: KUJIEAPWZCQMRG-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.45
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one (CID 45209624) is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one.

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

The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one is Cc1csc(CNCC2(O)CCCN(Cc3cccc(F)c3F)C2=O)n1.

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

The InChIKey is KUJIEAPWZCQMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2S/c1-12-10-26-15(22-12)8-21-11-18(25)6-3-7-23(17(18)24)9-13-4-2-5-14(19)16(13)20/h2,4-5,10,21,25H,3,6-9,11H2,1H3.

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

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one has a molecular weight of 381.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 45209624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).