2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

C18H21N3O2S — CID 122137345

IUPAC2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCNC(=O)C1c1ccccc1)c1cccs1
InChIInChI=1S/C18H21N3O2S/c1-13(15-8-5-11-24-15)20-16(22)12-21-10-9-19-18(23)17(21)14-6-3-2-4-7-14/h2-8,11,13,17H,9-10,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyVSSNMJSEORIPNC-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.10
Rot. Bonds5

About 2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide

2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 122137345) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID122137345
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCNC(=O)C1c1ccccc1)c1cccs1
InChIInChI=1S/C18H21N3O2S/c1-13(15-8-5-11-24-15)20-16(22)12-21-10-9-19-18(23)17(21)14-6-3-2-4-7-14/h2-8,11,13,17H,9-10,12H2,1H3,(H,19,23)(H,20,22)
InChIKeyVSSNMJSEORIPNC-UHFFFAOYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62673320
2-(3-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 78881064
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16566117
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 84601357
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
2-[1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116684068
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylpiperazin-2-one
CID 21292130
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119928547
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 103441573
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
methyl 2-[1-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 46614504

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide (CID 122137345) is 2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CN1CCNC(=O)C1c1ccccc1)c1cccs1.
What is the InChIKey of 2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is VSSNMJSEORIPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(15-8-5-11-24-15)20-16(22)12-21-10-9-19-18(23)17(21)14-6-3-2-4-7-14/h2-8,11,13,17H,9-10,12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide?
2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2-phenylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 122137345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).