2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide

C15H20N4O3 — CID 108984450

IUPAC2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C15H20N4O3/c1-17(7-4-13-2-5-16-6-3-13)14(21)15(22)19-10-8-18(12-20)9-11-19/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyGEGAZNXQHGACEO-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.62
Rot. Bonds4

About 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide

2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 108984450) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID108984450
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C15H20N4O3/c1-17(7-4-13-2-5-16-6-3-13)14(21)15(22)19-10-8-18(12-20)9-11-19/h2-3,5-6,12H,4,7-11H2,1H3
InChIKeyGEGAZNXQHGACEO-UHFFFAOYSA-N
XLogP-0.62
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide 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-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108985554
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108985566
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
N'-methyl-N-prop-2-enyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108983935
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
4-(3-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)piperazine-1-carboxamide
CID 108989247
1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one
CID 60912714
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371561
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide (CID 108984450) is 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)C(=O)N1CCN(C=O)CC1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is GEGAZNXQHGACEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-17(7-4-13-2-5-16-6-3-13)14(21)15(22)19-10-8-18(12-20)9-11-19/h2-3,5-6,12H,4,7-11H2,1H3.
What are the key properties of 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 304.35 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 108984450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).