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

C19H23FN4O3S — CID 25385501

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

2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 25385501) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
• PubChem CID: 25385501
• Molecular Formula: C19H23FN4O3S
• Molecular Weight: 406.48 g/mol
• Exact Mass: 406.15
• IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
• SMILES: COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cscn2)c(F)c1
• InChI: InChI=1S/C19H23FN4O3S/c1-27-15-3-2-13(16(20)8-15)10-24-7-6-22-19(26)17(24)9-18(25)21-5-4-14-11-28-12-23-14/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,21,25)(H,22,26)/t17-/m1/s1
• InChIKey: UCJWZWTVIAGKPP-QGZVFWFLSA-N
• XLogP: 1.34
• 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	406.48
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 25385501) is 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

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

The canonical SMILES for 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2cscn2)c(F)c1.

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

The InChIKey is UCJWZWTVIAGKPP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-27-15-3-2-13(16(20)8-15)10-24-7-6-22-19(26)17(24)9-18(25)21-5-4-14-11-28-12-23-14/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,21,25)(H,22,26)/t17-/m1/s1.

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

2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 1.34, 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-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 25385501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).