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

C19H23FN4O3S — CID 24819447

IUPAC2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCc2csc(C)n2)c(F)c1
InChIInChI=1S/C19H23FN4O3S/c1-12-23-14(11-28-12)9-22-18(25)8-17-19(26)21-5-6-24(17)10-13-3-4-15(27-2)7-16(13)20/h3-4,7,11,17H,5-6,8-10H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyUPMBSRNMRUGUGO-UHFFFAOYSA-N
MW406.48 g/mol
LogP1.61
Rot. Bonds7

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

2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 24819447) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID24819447
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC Name2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)NCc2csc(C)n2)c(F)c1
InChIInChI=1S/C19H23FN4O3S/c1-12-23-14(11-28-12)9-22-18(25)8-17-19(26)21-5-6-24(17)10-13-3-4-15(27-2)7-16(13)20/h3-4,7,11,17H,5-6,8-10H2,1-2H3,(H,21,26)(H,22,25)
InChIKeyUPMBSRNMRUGUGO-UHFFFAOYSA-N
XLogP1.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 155755003
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155755083
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]acetamide
CID 16190462
2-[1-(2-methoxybenzyl)-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 16190817
2-[3-oxo-1-(3-phenoxybenzyl)piperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 16191758
2-[1-(2-methoxybenzyl)-3-oxo-2-piperazinyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 24791416
2-[1-(2-ethoxybenzyl)-3-oxo-2-piperazinyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 24817732

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide (CID 24819447) is 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)NCc2csc(C)n2)c(F)c1.
What is the InChIKey of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is UPMBSRNMRUGUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-12-23-14(11-28-12)9-22-18(25)8-17-19(26)21-5-6-24(17)10-13-3-4-15(27-2)7-16(13)20/h3-4,7,11,17H,5-6,8-10H2,1-2H3,(H,21,26)(H,22,25).
What are the key properties of 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide?
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 24819447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).