2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide

C16H23N3O5 — CID 108984413

IUPAC2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)C(=O)N2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C16H23N3O5/c1-18-5-7-19(8-6-18)16(21)15(20)17-11-9-12(22-2)14(24-4)13(10-11)23-3/h9-10H,5-8H2,1-4H3,(H,17,20)
InChIKeyJQFUWNUQPUHLAA-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.42
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 108984413) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID108984413
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)C(=O)N2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C16H23N3O5/c1-18-5-7-19(8-6-18)16(21)15(20)17-11-9-12(22-2)14(24-4)13(10-11)23-3/h9-10H,5-8H2,1-4H3,(H,17,20)
InChIKeyJQFUWNUQPUHLAA-UHFFFAOYSA-N
XLogP0.42
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108960828
4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 122343655
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
4-methyl-N'-(3,4,5-trimethoxybenzoyl)piperazine-1-carbohydrazide;hydrochloride
CID 134105342
4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866656
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517085
4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108846
N-cyclopentyl-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108984057
1-(4-methyl-1,4-diazepan-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
CID 78769321
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide (CID 108984413) is 2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)C(=O)N2CCN(C)CC2)cc(OC)c1OC.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is JQFUWNUQPUHLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-18-5-7-19(8-6-18)16(21)15(20)17-11-9-12(22-2)14(24-4)13(10-11)23-3/h9-10H,5-8H2,1-4H3,(H,17,20).
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-oxo-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 108984413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).