2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide

C22H28N4O2 — CID 119885899

IUPAC2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide
SMILESNc1ccc(CC(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c23-19-10-8-18(9-11-19)17-21(27)24-12-4-7-22(28)26-15-13-25(14-16-26)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17,23H2,(H,24,27)
InChIKeyBXQCHCXRALUNRA-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.06
Rot. Bonds7

About 2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide

2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide (PubChem CID 119885899) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide
PubChem CID119885899
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide
SMILESNc1ccc(CC(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c23-19-10-8-18(9-11-19)17-21(27)24-12-4-7-22(28)26-15-13-25(14-16-26)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17,23H2,(H,24,27)
InChIKeyBXQCHCXRALUNRA-UHFFFAOYSA-N
XLogP2.06
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
2-(4-aminophenyl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 119860765
2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 119870745
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119849520
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-4-phenylbutan-1-one
CID 119444704
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
1-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 119444703
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
CID 61183899
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide (CID 119885899) is 2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide is Nc1ccc(CC(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide?
The InChIKey is BXQCHCXRALUNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c23-19-10-8-18(9-11-19)17-21(27)24-12-4-7-22(28)26-15-13-25(14-16-26)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17,23H2,(H,24,27).
What are the key properties of 2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide?
2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]acetamide is sourced from PubChem (CID 119885899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).