2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

C23H28N4O3 — CID 7998622

IUPAC2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C23H28N4O3/c1-17-7-9-19(10-8-17)15-24-23(30)20-5-3-4-6-21(20)25-22(29)16-26-11-13-27(14-12-26)18(2)28/h3-10H,11-16H2,1-2H3,(H,24,30)(H,25,29)
InChIKeyJOPNBCKHGRRVMH-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.03
Rot. Bonds6

About 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 7998622) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID7998622
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1
InChIInChI=1S/C23H28N4O3/c1-17-7-9-19(10-8-17)15-24-23(30)20-5-3-4-6-21(20)25-22(29)16-26-11-13-27(14-12-26)18(2)28/h3-10H,11-16H2,1-2H3,(H,24,30)(H,25,29)
InChIKeyJOPNBCKHGRRVMH-UHFFFAOYSA-N
XLogP2.03
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55848719
N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 55362722
N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542148
N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 46614142
N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55410746
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 55668082
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
3-[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539223
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9224136
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (CID 7998622) is 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is CC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccc(C)cc2)CC1.
What is the InChIKey of 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is JOPNBCKHGRRVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-7-9-19(10-8-17)15-24-23(30)20-5-3-4-6-21(20)25-22(29)16-26-11-13-27(14-12-26)18(2)28/h3-10H,11-16H2,1-2H3,(H,24,30)(H,25,29).
What are the key properties of 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 7998622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).