2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide

C17H24ClN4O3+ — CID 9033863

IUPAC2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C17H23ClN4O3/c1-12-14(18)4-3-5-15(12)20-16(24)10-19-17(25)11-21-6-8-22(9-7-21)13(2)23/h3-5H,6-11H2,1-2H3,(H,19,25)(H,20,24)/p+1
InChIKeyYYYAXLDLOMPLOC-UHFFFAOYSA-O
MW367.86 g/mol
LogP-0.55
Rot. Bonds5

About 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide

2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 9033863) has the molecular formula C17H24ClN4O3+ and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID9033863
Molecular FormulaC17H24ClN4O3+
Molecular Weight367.86 g/mol
Exact Mass367.15
IUPAC Name2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C17H23ClN4O3/c1-12-14(18)4-3-5-15(12)20-16(24)10-19-17(25)11-21-6-8-22(9-7-21)13(2)23/h3-5H,6-11H2,1-2H3,(H,19,25)(H,20,24)/p+1
InChIKeyYYYAXLDLOMPLOC-UHFFFAOYSA-O
XLogP-0.55
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide
CID 9028740
N-(3-chloro-2-methylphenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide
CID 9035450
2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 11935823
N-(3-chloro-2-methylphenyl)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9435108
N-(3-chloro-2-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6993865
N-(3-chloro-2-methylphenyl)-2-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 7165141
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
2-[4-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-chlorophenyl)acetamide
CID 9020685
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022344
2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8704572
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
1-(4-chlorobenzoyl)-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 17498503

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide (CID 9033863) is 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide is CC(=O)N1CC[NH+](CC(=O)NCC(=O)Nc2cccc(Cl)c2C)CC1.
What is the InChIKey of 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is YYYAXLDLOMPLOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23ClN4O3/c1-12-14(18)4-3-5-15(12)20-16(24)10-19-17(25)11-21-6-8-22(9-7-21)13(2)23/h3-5H,6-11H2,1-2H3,(H,19,25)(H,20,24)/p+1.
What are the key properties of 2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide?
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 367.86 g/mol, XLogP of -0.55, 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-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 9033863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).