4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide

C20H24N4O2 — CID 8726217

IUPAC4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H24N4O2/c1-15-4-2-3-5-18(15)24-12-10-23(11-13-24)14-19(25)22-17-8-6-16(7-9-17)20(21)26/h2-9H,10-14H2,1H3,(H2,21,26)(H,22,25)
InChIKeyPNVXAUADYYHDJJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.85
Rot. Bonds5

About 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide

4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 8726217) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID8726217
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C20H24N4O2/c1-15-4-2-3-5-18(15)24-12-10-23(11-13-24)14-19(25)22-17-8-6-16(7-9-17)20(21)26/h2-9H,10-14H2,1H3,(H2,21,26)(H,22,25)
InChIKeyPNVXAUADYYHDJJ-UHFFFAOYSA-N
XLogP1.85
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 8591306
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
N-(3,4-dichlorophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725978
4-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8582749
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
CID 23290943
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8726302
1-(4-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 51363182
4-[[2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide
CID 90507570
N-(4-acetylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668840
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
4-[[2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]acetyl]amino]benzamide
CID 4834495

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide (CID 8726217) is 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide is Cc1ccccc1N1CCN(CC(=O)Nc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is PNVXAUADYYHDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-4-2-3-5-18(15)24-12-10-23(11-13-24)14-19(25)22-17-8-6-16(7-9-17)20(21)26/h2-9H,10-14H2,1H3,(H2,21,26)(H,22,25).
What are the key properties of 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 352.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 8726217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).