N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide

C23H28N4O3 — CID 46519790

IUPACN-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-18(24-23(30)19-8-4-2-5-9-19)16-22(29)27-14-12-26(13-15-27)17-21(28)25-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,24,30)(H,25,28)
InChIKeyJJHKZYLENGBFMX-UHFFFAOYSA-N
MW408.50 g/mol
LogP1.98
Rot. Bonds7

About N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide

N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide (PubChem CID 46519790) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
PubChem CID46519790
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-18(24-23(30)19-8-4-2-5-9-19)16-22(29)27-14-12-26(13-15-27)17-21(28)25-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,24,30)(H,25,28)
InChIKeyJJHKZYLENGBFMX-UHFFFAOYSA-N
XLogP1.98
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide
CID 78804572
4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86981010
N-[1-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46512979
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide
CID 47027675
2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 34435067
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
CID 25408367
N-[4-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 55735695
2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 60503858
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide (CID 46519790) is N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide is CC(CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide?
The InChIKey is JJHKZYLENGBFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-18(24-23(30)19-8-4-2-5-9-19)16-22(29)27-14-12-26(13-15-27)17-21(28)25-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,24,30)(H,25,28).
What are the key properties of N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide?
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 46519790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).