2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide

C24H27N5O — CID 57188143

IUPAC2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide
SMILESNc1ccc(N2CCN(CC(=O)Nc3ccc(Nc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H27N5O/c25-19-6-12-23(13-7-19)29-16-14-28(15-17-29)18-24(30)27-22-10-8-21(9-11-22)26-20-4-2-1-3-5-20/h1-13,26H,14-18,25H2,(H,27,30)
InChIKeyKJBQCQZZTFYAMJ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.77
Rot. Bonds6

About 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide

2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide (PubChem CID 57188143) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide
PubChem CID57188143
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide
SMILESNc1ccc(N2CCN(CC(=O)Nc3ccc(Nc4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H27N5O/c25-19-6-12-23(13-7-19)29-16-14-28(15-17-29)18-24(30)27-22-10-8-21(9-11-22)26-20-4-2-1-3-5-20/h1-13,26H,14-18,25H2,(H,27,30)
InChIKeyKJBQCQZZTFYAMJ-UHFFFAOYSA-N
XLogP3.77
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 175654262
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108995838
2-[4-[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55462140
N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
CID 61430101
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 27175232
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide?
The IUPAC name of 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide (CID 57188143) is 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide?
The canonical SMILES for 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide is Nc1ccc(N2CCN(CC(=O)Nc3ccc(Nc4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide?
The InChIKey is KJBQCQZZTFYAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c25-19-6-12-23(13-7-19)29-16-14-28(15-17-29)18-24(30)27-22-10-8-21(9-11-22)26-20-4-2-1-3-5-20/h1-13,26H,14-18,25H2,(H,27,30).
What are the key properties of 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide?
2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide has a molecular weight of 401.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide is sourced from PubChem (CID 57188143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).