3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide

C17H23N3O4 — CID 108944698

IUPAC3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
SMILESCOc1ccc(CCNC(=O)CC(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C17H23N3O4/c1-24-15-4-2-14(3-5-15)6-7-18-16(22)12-17(23)20-10-8-19(13-21)9-11-20/h2-5,13H,6-12H2,1H3,(H,18,22)
InChIKeyNHFUQWYQEXVUPE-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.04
Rot. Bonds7

About 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide

3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide (PubChem CID 108944698) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
PubChem CID108944698
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
SMILESCOc1ccc(CCNC(=O)CC(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C17H23N3O4/c1-24-15-4-2-14(3-5-15)6-7-18-16(22)12-17(23)20-10-8-19(13-21)9-11-20/h2-5,13H,6-12H2,1H3,(H,18,22)
InChIKeyNHFUQWYQEXVUPE-UHFFFAOYSA-N
XLogP0.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-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

N-[2-(4-methoxyphenyl)ethyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944346
3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947958
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948773
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948070
N-[(3,4-dimethoxyphenyl)methyl]-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944709
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-(4-methoxyphenyl)pentanamide
CID 110306347
4-[2-(4-methoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108995990
N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941955
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
3-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947043
3-(4-formylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109017963

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide?
The IUPAC name of 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide (CID 108944698) is 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide.
What is the SMILES notation for 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide?
The canonical SMILES for 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide is COc1ccc(CCNC(=O)CC(=O)N2CCN(C=O)CC2)cc1.
What is the InChIKey of 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide?
The InChIKey is NHFUQWYQEXVUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-24-15-4-2-14(3-5-15)6-7-18-16(22)12-17(23)20-10-8-19(13-21)9-11-20/h2-5,13H,6-12H2,1H3,(H,18,22).
What are the key properties of 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide?
3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide has a molecular weight of 333.39 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide is sourced from PubChem (CID 108944698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).