2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

C20H26N4O3S — CID 26331261

About 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide

2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 26331261) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
• PubChem CID: 26331261
• Molecular Formula: C20H26N4O3S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.17
• IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
• SMILES: CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1nc(C)cs1
• InChI: InChI=1S/C20H26N4O3S/c1-3-27-17-7-5-4-6-15(17)12-24-9-8-21-20(26)16(24)10-18(25)22-11-19-23-14(2)13-28-19/h4-7,13,16H,3,8-12H2,1-2H3,(H,21,26)(H,22,25)/t16-/m1/s1
• InChIKey: GTKMJAOWCADRQE-MRXNPFEDSA-N
• XLogP: 1.86
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?

The IUPAC name of 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide (CID 26331261) is 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is CCOc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1nc(C)cs1.

What is the InChIKey of 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?

The InChIKey is GTKMJAOWCADRQE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-3-27-17-7-5-4-6-15(17)12-24-9-8-21-20(26)16(24)10-18(25)22-11-19-23-14(2)13-28-19/h4-7,13,16H,3,8-12H2,1-2H3,(H,21,26)(H,22,25)/t16-/m1/s1.

What are the key properties of 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide?

2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 26331261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).