N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide

C21H26ClN3O2 — CID 6469583

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C21H26ClN3O2/c1-15-5-4-6-19(16(15)2)25-11-9-24(10-12-25)14-21(26)23-18-13-17(22)7-8-20(18)27-3/h4-8,13H,9-12,14H2,1-3H3,(H,23,26)
InChIKeyDJAXBCUNUUPYLZ-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.73
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide (PubChem CID 6469583) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
PubChem CID6469583
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C21H26ClN3O2/c1-15-5-4-6-19(16(15)2)25-11-9-24(10-12-25)14-21(26)23-18-13-17(22)7-8-20(18)27-3/h4-8,13H,9-12,14H2,1-3H3,(H,23,26)
InChIKeyDJAXBCUNUUPYLZ-UHFFFAOYSA-N
XLogP3.73
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
4-chloro-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzoic acid
CID 15840975
N-(3-chloro-2-methylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6465296
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653668
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2698128
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8726259
N-(5-chloro-2-methoxyphenyl)-2-[4-(cyclohexylmethyl)piperazin-1-yl]acetamide
CID 60563453
methyl 5-chloro-3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 1414494
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 18078469
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37192606

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide (CID 6469583) is N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
The InChIKey is DJAXBCUNUUPYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-15-5-4-6-19(16(15)2)25-11-9-24(10-12-25)14-21(26)23-18-13-17(22)7-8-20(18)27-3/h4-8,13H,9-12,14H2,1-3H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6469583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).