4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide

C18H25N3O3 — CID 7603287

IUPAC4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccccc1NC(=O)CCC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C18H25N3O3/c1-3-15-6-4-5-7-16(15)19-17(23)8-9-18(24)21-12-10-20(11-13-21)14(2)22/h4-7H,3,8-13H2,1-2H3,(H,19,23)
InChIKeyVLSGVQJVCBAWBR-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.66
Rot. Bonds5

About 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide

4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide (PubChem CID 7603287) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
PubChem CID7603287
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccccc1NC(=O)CCC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C18H25N3O3/c1-3-15-6-4-5-7-16(15)19-17(23)8-9-18(24)21-12-10-20(11-13-21)14(2)22/h4-7H,3,8-13H2,1-2H3,(H,19,23)
InChIKeyVLSGVQJVCBAWBR-UHFFFAOYSA-N
XLogP1.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39439879
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[4-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 27852327
N-(2-ethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide;dihydrochloride
CID 120982304
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950686
N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide
CID 39284489
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
N-(2-ethylphenyl)-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108950759

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide (CID 7603287) is 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide is CCc1ccccc1NC(=O)CCC(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide?
The InChIKey is VLSGVQJVCBAWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-15-6-4-5-7-16(15)19-17(23)8-9-18(24)21-12-10-20(11-13-21)14(2)22/h4-7H,3,8-13H2,1-2H3,(H,19,23).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide?
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide has a molecular weight of 331.42 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 7603287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).