2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

C17H19N3O2S — CID 8549245

IUPAC2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C1CN(CC(=O)N[C@@H](c2ccccc2)c2cccs2)CCN1
InChIInChI=1S/C17H19N3O2S/c21-15-11-20(9-8-18-15)12-16(22)19-17(14-7-4-10-23-14)13-5-2-1-3-6-13/h1-7,10,17H,8-9,11-12H2,(H,18,21)(H,19,22)/t17-/m0/s1
InChIKeyYFGIZLFNCHNYNU-KRWDZBQOSA-N
MW329.43 g/mol
LogP1.39
Rot. Bonds5

About 2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide

2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 8549245) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID8549245
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESO=C1CN(CC(=O)N[C@@H](c2ccccc2)c2cccs2)CCN1
InChIInChI=1S/C17H19N3O2S/c21-15-11-20(9-8-18-15)12-16(22)19-17(14-7-4-10-23-14)13-5-2-1-3-6-13/h1-7,10,17H,8-9,11-12H2,(H,18,21)(H,19,22)/t17-/m0/s1
InChIKeyYFGIZLFNCHNYNU-KRWDZBQOSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8709816
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8963123
2-[4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]-N-phenylacetamide
CID 166192323
2-(3-oxopiperazin-1-ium-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549244
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41176869
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627443
methyl 1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxylate
CID 8754741
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46444318
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682430
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-(3-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 162152546

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide (CID 8549245) is 2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is O=C1CN(CC(=O)N[C@@H](c2ccccc2)c2cccs2)CCN1.
What is the InChIKey of 2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is YFGIZLFNCHNYNU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-15-11-20(9-8-18-15)12-16(22)19-17(14-7-4-10-23-14)13-5-2-1-3-6-13/h1-7,10,17H,8-9,11-12H2,(H,18,21)(H,19,22)/t17-/m0/s1.
What are the key properties of 2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide?
2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 8549245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).