1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone

C19H24N4O — CID 68841046

IUPAC1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone
SMILESNc1ccc(CN2CCN(C(=O)CNc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N4O/c20-17-8-6-16(7-9-17)15-22-10-12-23(13-11-22)19(24)14-21-18-4-2-1-3-5-18/h1-9,21H,10-15,20H2
InChIKeyWOQWBYAYJQGYMI-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.03
Rot. Bonds5

About 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone

1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone (PubChem CID 68841046) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone.

Molecular Properties

Compound Name1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone
PubChem CID68841046
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone
SMILESNc1ccc(CN2CCN(C(=O)CNc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N4O/c20-17-8-6-16(7-9-17)15-22-10-12-23(13-11-22)19(24)14-21-18-4-2-1-3-5-18/h1-9,21H,10-15,20H2
InChIKeyWOQWBYAYJQGYMI-UHFFFAOYSA-N
XLogP2.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 119872718
2-(4-acetylanilino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002057
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 109002032
methyl 4-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 109002062
1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]propan-1-one
CID 28917407
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165
methyl 4-(2-anilinoacetyl)piperazine-1-carboxylate
CID 61042223
2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 55345495
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone?
The IUPAC name of 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone (CID 68841046) is 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone.
What is the SMILES notation for 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone?
The canonical SMILES for 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone is Nc1ccc(CN2CCN(C(=O)CNc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone?
The InChIKey is WOQWBYAYJQGYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c20-17-8-6-16(7-9-17)15-22-10-12-23(13-11-22)19(24)14-21-18-4-2-1-3-5-18/h1-9,21H,10-15,20H2.
What are the key properties of 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone?
1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone has a molecular weight of 324.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone is sourced from PubChem (CID 68841046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).