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

C16H23N3O3 — CID 108944606

IUPAC3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
SMILESCCN1CCN(C(=O)CC(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-3-18-8-10-19(11-9-18)16(21)12-15(20)17-13-4-6-14(22-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,17,20)
InChIKeyYOAFBCFOOAURDY-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.19
Rot. Bonds5

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

3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide (PubChem CID 108944606) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
PubChem CID108944606
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
SMILESCCN1CCN(C(=O)CC(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H23N3O3/c1-3-18-8-10-19(11-9-18)16(21)12-15(20)17-13-4-6-14(22-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,17,20)
InChIKeyYOAFBCFOOAURDY-UHFFFAOYSA-N
XLogP1.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-ethylpiperazin-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-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944957
3-(4-ethylpiperazin-1-yl)-3-oxo-N-(4-phenylmethoxyphenyl)propanamide
CID 108944636
ethyl 4-[2-(4-methoxyanilino)-2-oxoethyl]piperazine-1-carboxylate;hydrochloride
CID 44828363
N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942054
N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide
CID 108944601
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
1-(4-ethylpiperazin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione
CID 110298179
1-(4-ethylpiperazin-1-yl)-2-[2-(4-methoxyphenoxy)ethylamino]ethanone
CID 108995589
methyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108944622
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide (CID 108944606) is 3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide is CCN1CCN(C(=O)CC(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide?
The InChIKey is YOAFBCFOOAURDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-18-8-10-19(11-9-18)16(21)12-15(20)17-13-4-6-14(22-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H,17,20).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide?
3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide has a molecular weight of 305.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide is sourced from PubChem (CID 108944606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).