2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide

C14H22N3O2+ — CID 7027118

IUPAC2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
SMILESCOc1ccc(CC(=O)NN2CC[NH+](C)CC2)cc1
InChIInChI=1S/C14H21N3O2/c1-16-7-9-17(10-8-16)15-14(18)11-12-3-5-13(19-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,15,18)/p+1
InChIKeyFSMOQJAQNQQQBX-UHFFFAOYSA-O
MW264.35 g/mol
LogP-0.90
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide

2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide (PubChem CID 7027118) has the molecular formula C14H22N3O2+ and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
PubChem CID7027118
Molecular FormulaC14H22N3O2+
Molecular Weight264.35 g/mol
Exact Mass264.17
IUPAC Name2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
SMILESCOc1ccc(CC(=O)NN2CC[NH+](C)CC2)cc1
InChIInChI=1S/C14H21N3O2/c1-16-7-9-17(10-8-16)15-14(18)11-12-3-5-13(19-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,15,18)/p+1
InChIKeyFSMOQJAQNQQQBX-UHFFFAOYSA-O
XLogP-0.90
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)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

2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9075264
1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea
CID 7477694
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
CID 42254545
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 84556181
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
2-(4-methoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 110712460
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide (CID 7027118) is 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide is COc1ccc(CC(=O)NN2CC[NH+](C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide?
The InChIKey is FSMOQJAQNQQQBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3O2/c1-16-7-9-17(10-8-16)15-14(18)11-12-3-5-13(19-2)6-4-12/h3-6H,7-11H2,1-2H3,(H,15,18)/p+1.
What are the key properties of 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide?
2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide is sourced from PubChem (CID 7027118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).