N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide

C20H28N4O4 — CID 47027675

IUPACN-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)CC(C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H28N4O4/c1-14(2)21-19(27)20(28)24-11-9-23(10-12-24)17(25)13-15(3)22-18(26)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyZJYYAIKYUKHNEO-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.39
Rot. Bonds5

About N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide

N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide (PubChem CID 47027675) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide
PubChem CID47027675
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide
SMILESCC(C)NC(=O)C(=O)N1CCN(C(=O)CC(C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C20H28N4O4/c1-14(2)21-19(27)20(28)24-11-9-23(10-12-24)17(25)13-15(3)22-18(26)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyZJYYAIKYUKHNEO-UHFFFAOYSA-N
XLogP0.39
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.39
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-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 55735695
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutan-2-yl]benzamide
CID 78804572
4-(3-benzamidobutanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 86981010
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790
N-[(2S)-4-[(4S)-4-methylsulfonylazepan-1-yl]-4-oxobutan-2-yl]benzamide
CID 124875313
N-[4-oxo-4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butan-2-yl]benzamide
CID 46689755
N-[4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 24679878
N-[4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 51271176
2-oxo-2-[4-[2-(4-phenoxyphenoxy)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55493171
methyl 3-benzamidobutanoate
CID 10857046
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide?
The IUPAC name of N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide (CID 47027675) is N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide.
What is the SMILES notation for N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide?
The canonical SMILES for N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide is CC(C)NC(=O)C(=O)N1CCN(C(=O)CC(C)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide?
The InChIKey is ZJYYAIKYUKHNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14(2)21-19(27)20(28)24-11-9-23(10-12-24)17(25)13-15(3)22-18(26)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,21,27)(H,22,26).
What are the key properties of N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide?
N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 47027675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).