N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide

C18H26ClN3O2 — CID 86928272

IUPACN-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1
InChIInChI=1S/C18H26ClN3O2/c1-13-5-6-15(14(19)11-13)20-16(23)12-21-7-9-22(10-8-21)17(24)18(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H,20,23)
InChIKeyJDJAZVQFCNPWNA-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.78
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide

N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 86928272) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
PubChem CID86928272
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1
InChIInChI=1S/C18H26ClN3O2/c1-13-5-6-15(14(19)11-13)20-16(23)12-21-7-9-22(10-8-21)17(24)18(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H,20,23)
InChIKeyJDJAZVQFCNPWNA-UHFFFAOYSA-N
XLogP2.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928300
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
CID 171327747
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide
CID 71986633
N-(2-chloro-4-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 8720949
2-[4-(2-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 32677650
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 22198769
N-(2,4-dichlorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266510

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide (CID 86928272) is N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is JDJAZVQFCNPWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-13-5-6-15(14(19)11-13)20-16(23)12-21-7-9-22(10-8-21)17(24)18(2,3)4/h5-6,11H,7-10,12H2,1-4H3,(H,20,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 351.88 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86928272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).