2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide

C21H25N4O3+ — CID 7833202

IUPAC2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H24N4O3/c1-16(26)25-13-11-24(12-14-25)15-20(27)23-19-10-6-5-9-18(19)21(28)22-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,22,28)(H,23,27)/p+1
InChIKeyXVZSAZURKWPWTK-UHFFFAOYSA-O
MW381.46 g/mol
LogP0.62
Rot. Bonds5

About 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide

2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide (PubChem CID 7833202) has the molecular formula C21H25N4O3+ and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
PubChem CID7833202
Molecular FormulaC21H25N4O3+
Molecular Weight381.46 g/mol
Exact Mass381.19
IUPAC Name2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H24N4O3/c1-16(26)25-13-11-24(12-14-25)15-20(27)23-19-10-6-5-9-18(19)21(28)22-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,22,28)(H,23,27)/p+1
InChIKeyXVZSAZURKWPWTK-UHFFFAOYSA-O
XLogP0.62
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
ethyl 4-[2-(2-acetylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932316
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide
CID 9033852
2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 8904341
N-(2-acetylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 8894869
2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide
CID 8583080
2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide
CID 8904245
2-[4-[2-(4-acetamidophenyl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8745911
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-(butanoylamino)-N-phenylbenzamide
CID 676008
2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8904321

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide (CID 7833202) is 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide is CC(=O)N1CC[NH+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide?
The InChIKey is XVZSAZURKWPWTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N4O3/c1-16(26)25-13-11-24(12-14-25)15-20(27)23-19-10-6-5-9-18(19)21(28)22-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3,(H,22,28)(H,23,27)/p+1.
What are the key properties of 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide?
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide has a molecular weight of 381.46 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 7833202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).