N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide

C26H30Cl2N4O3 — CID 46027646

IUPACN-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C26H30Cl2N4O3/c1-17(33)29-20-7-9-21(10-8-20)30-25(34)24(18-4-2-3-5-18)31-12-14-32(15-13-31)26(35)22-11-6-19(27)16-23(22)28/h6-11,16,18,24H,2-5,12-15H2,1H3,(H,29,33)(H,30,34)
InChIKeyIBPLTKPJOQJOKL-UHFFFAOYSA-N
MW517.46 g/mol
LogP4.91
Rot. Bonds6

About N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide

N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide (PubChem CID 46027646) has the molecular formula C26H30Cl2N4O3 and a molecular weight of 517.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
PubChem CID46027646
Molecular FormulaC26H30Cl2N4O3
Molecular Weight517.46 g/mol
Exact Mass516.17
IUPAC NameN-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C26H30Cl2N4O3/c1-17(33)29-20-7-9-21(10-8-20)30-25(34)24(18-4-2-3-5-18)31-12-14-32(15-13-31)26(35)22-11-6-19(27)16-23(22)28/h6-11,16,18,24H,2-5,12-15H2,1H3,(H,29,33)(H,30,34)
InChIKeyIBPLTKPJOQJOKL-UHFFFAOYSA-N
XLogP4.91
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 93222111
(2S)-1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 93208410
N-butan-2-yl-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46024308
(2S)-N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 93222166
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 46027562
(2R)-N-(4-chlorophenyl)-2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221645
(2S)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93209781
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 46027650
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 46027426
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 46027642

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide (CID 46027646) is N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is IBPLTKPJOQJOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N4O3/c1-17(33)29-20-7-9-21(10-8-20)30-25(34)24(18-4-2-3-5-18)31-12-14-32(15-13-31)26(35)22-11-6-19(27)16-23(22)28/h6-11,16,18,24H,2-5,12-15H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide?
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 517.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46027646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).