2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide

C15H21ClN3O3+ — CID 2101557

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(C(C)=O)CC1
InChIInChI=1S/C15H20ClN3O3/c1-11(20)19-7-5-18(6-8-19)10-15(21)17-13-9-12(16)3-4-14(13)22-2/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)/p+1
InChIKeyHJYQTQZNCHNZQH-UHFFFAOYSA-O
MW326.80 g/mol
LogP0.03
Rot. Bonds4

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 2101557) has the molecular formula C15H21ClN3O3+ and a molecular weight of 326.80 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID2101557
Molecular FormulaC15H21ClN3O3+
Molecular Weight326.80 g/mol
Exact Mass326.13
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(C(C)=O)CC1
InChIInChI=1S/C15H20ClN3O3/c1-11(20)19-7-5-18(6-8-19)10-15(21)17-13-9-12(16)3-4-14(13)22-2/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)/p+1
InChIKeyHJYQTQZNCHNZQH-UHFFFAOYSA-O
XLogP0.03
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2656153
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide
CID 7939536
ethyl 4-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932092
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-methylazanium
CID 9222292
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazine-1,4-diium-1-yl]propanamide
CID 8774511
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 8704671
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587427
N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide
CID 108944601
N-(5-chloro-2-methoxyphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 3341998
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8795376

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 2101557) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is HJYQTQZNCHNZQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20ClN3O3/c1-11(20)19-7-5-18(6-8-19)10-15(21)17-13-9-12(16)3-4-14(13)22-2/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 326.80 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 2101557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).