2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

C23H30ClN4O2+ — CID 8529946

IUPAC2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-3-18-7-4-5-10-21(18)25-22(29)16-26(2)23(30)17-27-11-13-28(14-12-27)20-9-6-8-19(24)15-20/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,29)/p+1
InChIKeyWMUOGCOOVFDLFY-UHFFFAOYSA-O
MW429.97 g/mol
LogP1.70
Rot. Bonds7

About 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide

2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 8529946) has the molecular formula C23H30ClN4O2+ and a molecular weight of 429.97 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID8529946
Molecular FormulaC23H30ClN4O2+
Molecular Weight429.97 g/mol
Exact Mass429.21
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H29ClN4O2/c1-3-18-7-4-5-10-21(18)25-22(29)16-26(2)23(30)17-27-11-13-28(14-12-27)20-9-6-8-19(24)15-20/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,29)/p+1
InChIKeyWMUOGCOOVFDLFY-UHFFFAOYSA-O
XLogP1.70
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide with MolForge

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688394
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-morpholin-4-ium-4-ylacetamide
CID 8903823
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2536523
2-(4-benzylpiperidin-1-ium-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8904524
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2124469
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6985943
2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8679883
(2R)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 25360218
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-cyclohexyl-N-methylacetamide
CID 7417962
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8591052
N-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide
CID 6958467

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide (CID 8529946) is 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is CCc1ccccc1NC(=O)CN(C)C(=O)C[NH+]1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is WMUOGCOOVFDLFY-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H29ClN4O2/c1-3-18-7-4-5-10-21(18)25-22(29)16-26(2)23(30)17-27-11-13-28(14-12-27)20-9-6-8-19(24)15-20/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,29)/p+1.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide?
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 429.97 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 8529946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).