3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide

C16H21N3O4 — CID 108944957

IUPAC3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
SMILESCOc1ccc(NC(=O)CC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H21N3O4/c1-12(20)18-7-9-19(10-8-18)16(22)11-15(21)17-13-3-5-14(23-2)6-4-13/h3-6H,7-11H2,1-2H3,(H,17,21)
InChIKeyOEMHSMLAWFFNED-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.71
Rot. Bonds4

About 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide

3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide (PubChem CID 108944957) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
PubChem CID108944957
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
SMILESCOc1ccc(NC(=O)CC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H21N3O4/c1-12(20)18-7-9-19(10-8-18)16(22)11-15(21)17-13-3-5-14(23-2)6-4-13/h3-6H,7-11H2,1-2H3,(H,17,21)
InChIKeyOEMHSMLAWFFNED-UHFFFAOYSA-N
XLogP0.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944606
3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108944941
N-(3,5-dimethylphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952778
ethyl 4-[3-(4-acetamidoanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950364
N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942054
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide
CID 7602926
4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 8777313
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium
CID 8593005
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-3-oxopropanamide
CID 108944949
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide (CID 108944957) is 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide is COc1ccc(NC(=O)CC(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide?
The InChIKey is OEMHSMLAWFFNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-12(20)18-7-9-19(10-8-18)16(22)11-15(21)17-13-3-5-14(23-2)6-4-13/h3-6H,7-11H2,1-2H3,(H,17,21).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide?
3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide has a molecular weight of 319.36 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide is sourced from PubChem (CID 108944957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).