N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide

C15H19N3O5 — CID 108523927

IUPACN-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCN(C=O)CC2)c(OC)c1
InChIInChI=1S/C15H19N3O5/c1-22-11-3-4-12(13(9-11)23-2)16-14(20)15(21)18-7-5-17(10-19)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,16,20)
InChIKeyJYGZBPYCNFOUBB-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.06
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide

N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108523927) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108523927
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide
SMILESCOc1ccc(NC(=O)C(=O)N2CCN(C=O)CC2)c(OC)c1
InChIInChI=1S/C15H19N3O5/c1-22-11-3-4-12(13(9-11)23-2)16-14(20)15(21)18-7-5-17(10-19)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,16,20)
InChIKeyJYGZBPYCNFOUBB-UHFFFAOYSA-N
XLogP-0.06
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide 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

2-(4-formylpiperazin-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502665
N-(2,5-dimethoxyphenyl)-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961122
N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168975
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 44892029
N-(2-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 550974
ethyl 1-[2-(2,4-dimethoxyanilino)-2-oxoacetyl]piperidine-3-carboxylate
CID 108521872
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
N-(2,4-dimethoxyphenyl)-2-methyl-3-phenylprop-2-enamide
CID 889648
2-(azepan-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108512934
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
(Z)-2-bromo-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1192033

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide (CID 108523927) is N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide is COc1ccc(NC(=O)C(=O)N2CCN(C=O)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is JYGZBPYCNFOUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-22-11-3-4-12(13(9-11)23-2)16-14(20)15(21)18-7-5-17(10-19)6-8-18/h3-4,9-10H,5-8H2,1-2H3,(H,16,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide?
N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 321.33 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(4-formylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108523927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).