2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C22H26ClN3O3 — CID 2656218

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C22H26ClN3O3/c1-15-12-20(21(29-3)13-19(15)23)24-22(28)14-25-8-10-26(11-9-25)18-6-4-17(5-7-18)16(2)27/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,28)
InChIKeyBHQDUMQGIYTUHW-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.62
Rot. Bonds6

About 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 2656218) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID2656218
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C22H26ClN3O3/c1-15-12-20(21(29-3)13-19(15)23)24-22(28)14-25-8-10-26(11-9-25)18-6-4-17(5-7-18)16(2)27/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,28)
InChIKeyBHQDUMQGIYTUHW-UHFFFAOYSA-N
XLogP3.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2563712
2-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31291782
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073914
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 8591691
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 37406488
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942346
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 30776742
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]acetamide
CID 55850200
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 27208064
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992500

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 2656218) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN1CCN(c2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is BHQDUMQGIYTUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-15-12-20(21(29-3)13-19(15)23)24-22(28)14-25-8-10-26(11-9-25)18-6-4-17(5-7-18)16(2)27/h4-7,12-13H,8-11,14H2,1-3H3,(H,24,28).
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 415.92 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 2656218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).