N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide

C15H22ClN3O — CID 22199009

IUPACN-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C15H22ClN3O/c1-3-18-7-9-19(10-8-18)11-15(20)17-14-6-4-5-13(16)12(14)2/h4-6H,3,7-11H2,1-2H3,(H,17,20)
InChIKeyRANOZIYRWBJFGH-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.22
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 22199009) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID22199009
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C15H22ClN3O/c1-3-18-7-9-19(10-8-18)11-15(20)17-14-6-4-5-13(16)12(14)2/h4-6H,3,7-11H2,1-2H3,(H,17,20)
InChIKeyRANOZIYRWBJFGH-UHFFFAOYSA-N
XLogP2.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(4-sulfamoylpiperazin-1-yl)acetamide
CID 134038865
N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6465296
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950
4-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37194189
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260111
N-(3-chloro-2-methylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434250
2-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735131
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
N-(3-chloro-2-methylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]acetamide
CID 171327738
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134253
tert-butyl 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 171701584

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide (CID 22199009) is N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2cccc(Cl)c2C)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is RANOZIYRWBJFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-18-7-9-19(10-8-18)11-15(20)17-14-6-4-5-13(16)12(14)2/h4-6H,3,7-11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 22199009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).