ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate

C24H33N3O6 — CID 54739504

About ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate

ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate (PubChem CID 54739504) has the molecular formula C24H33N3O6 and a molecular weight of 459.54 g/mol. Its IUPAC name is ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate
• PubChem CID: 54739504
• Molecular Formula: C24H33N3O6
• Molecular Weight: 459.54 g/mol
• Exact Mass: 459.24
• IUPAC Name: ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate
• SMILES: CCOC(=O)N1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1
• InChI: InChI=1S/C24H33N3O6/c1-5-33-24(30)26-11-9-25(10-12-26)22(18-7-6-8-19(16-18)32-4)21-20(28)15-17(2)27(23(21)29)13-14-31-3/h6-8,15-16,22,28H,5,9-14H2,1-4H3/t22-/m0/s1
• InChIKey: LQEQXZDIEXGWRN-QFIPXVFZSA-N
• XLogP: 2.38
• TPSA: 93.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.54
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate?

The IUPAC name of ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate (CID 54739504) is ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate.

What is the SMILES notation for ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate?

The canonical SMILES for ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN([C@@H](c2cccc(OC)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1.

What is the InChIKey of ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate?

The InChIKey is LQEQXZDIEXGWRN-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H33N3O6/c1-5-33-24(30)26-11-9-25(10-12-26)22(18-7-6-8-19(16-18)32-4)21-20(28)15-17(2)27(23(21)29)13-14-31-3/h6-8,15-16,22,28H,5,9-14H2,1-4H3/t22-/m0/s1.

What are the key properties of ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate?

ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate has a molecular weight of 459.54 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[(S)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(3-methoxyphenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 54739504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).