2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C23H30N4O2 — CID 8902404

IUPAC2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CN2CCN(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C23H30N4O2/c1-18-7-6-10-21(19(18)2)25-22(28)15-24-23(29)17-27-13-11-26(12-14-27)16-20-8-4-3-5-9-20/h3-10H,11-17H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyMSQHGGPRHLALOO-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.18
Rot. Bonds7

About 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 8902404) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID8902404
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CNC(=O)CN2CCN(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C23H30N4O2/c1-18-7-6-10-21(19(18)2)25-22(28)15-24-23(29)17-27-13-11-26(12-14-27)16-20-8-4-3-5-9-20/h3-10H,11-17H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyMSQHGGPRHLALOO-UHFFFAOYSA-N
XLogP2.18
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)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

ethyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8931960
methyl 3-[[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoate
CID 9435369
2-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(2,3-dimethylphenyl)acetamide
CID 172904902
N-(2,3-dimethylphenyl)-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]acetamide
CID 8687125
1-(4-benzylpiperazin-1-yl)-2-(2,3-dimethylanilino)ethanone
CID 109002020
N-(2,3-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]acetamide
CID 8929916
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9435279
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9435201
N-(2,3-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 78795520
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,3-dimethylphenyl)methylideneamino]acetamide
CID 138741424
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 8902404) is 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CNC(=O)CN2CCN(Cc3ccccc3)CC2)c1C.
What is the InChIKey of 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is MSQHGGPRHLALOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-7-6-10-21(19(18)2)25-22(28)15-24-23(29)17-27-13-11-26(12-14-27)16-20-8-4-3-5-9-20/h3-10H,11-17H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 8902404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).