N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide

C19H22N4O2 — CID 108517085

IUPACN-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCN1CCN(C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N4O2/c1-22-11-13-23(14-12-22)19(25)18(24)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-10,20H,11-14H2,1H3,(H,21,24)
InChIKeyHAWJLDZSSKVDDB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.14
Rot. Bonds3

About N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide

N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108517085) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108517085
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCN1CCN(C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N4O2/c1-22-11-13-23(14-12-22)19(25)18(24)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-10,20H,11-14H2,1H3,(H,21,24)
InChIKeyHAWJLDZSSKVDDB-UHFFFAOYSA-N
XLogP2.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108525435
N-(4-anilinophenyl)-2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetamide
CID 108504006
N-(4-anilinophenyl)-2-(4-benzylpiperidin-1-yl)-2-oxoacetamide
CID 108507023
2-(4-methylpiperazin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoacetamide
CID 108984409
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
N-(4-anilinophenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108524855
N-(4-ethylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 44999577
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
1-(4-anilinophenyl)-3-(4-methylpiperazin-1-yl)thiourea
CID 941685
2-(4-benzylidenepiperidin-1-yl)-2-oxo-N-phenylacetamide
CID 59864375
2-(4-benzhydrylpiperazin-1-yl)-2-oxo-N-(4-propan-2-ylphenyl)acetamide
CID 44902793
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide (CID 108517085) is N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide is CN1CCN(C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1.
What is the InChIKey of N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is HAWJLDZSSKVDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-11-13-23(14-12-22)19(25)18(24)21-17-9-7-16(8-10-17)20-15-5-3-2-4-6-15/h2-10,20H,11-14H2,1H3,(H,21,24).
What are the key properties of N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide?
N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 338.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108517085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).