2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide

C19H21ClN3O2+ — CID 9223569

IUPAC2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c20-16-6-8-17(9-7-16)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)/p+1
InChIKeySKZRBXUYNFDSAD-UHFFFAOYSA-O
MW358.85 g/mol
LogP1.32
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide

2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 9223569) has the molecular formula C19H21ClN3O2+ and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
PubChem CID9223569
Molecular FormulaC19H21ClN3O2+
Molecular Weight358.85 g/mol
Exact Mass358.13
IUPAC Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2/c20-16-6-8-17(9-7-16)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)/p+1
InChIKeySKZRBXUYNFDSAD-UHFFFAOYSA-O
XLogP1.32
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
N-(4-chlorophenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-ium-1-yl]acetamide
CID 5061478
2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-chloro-2-nitrophenyl)acetamide
CID 9223655
2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9223114
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
N-(1,3-benzothiazol-2-yl)-2-[4-(4-chlorobenzoyl)piperazin-1-ium-1-yl]acetamide
CID 9350320
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 9223547
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 9223695
2-[4-[2-(4-chloroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 5062155
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 9223401
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8597441

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide (CID 9223569) is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide is O=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is SKZRBXUYNFDSAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20ClN3O2/c20-16-6-8-17(9-7-16)21-18(24)14-22-10-12-23(13-11-22)19(25)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,24)/p+1.
What are the key properties of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide?
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 358.85 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 9223569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).