4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide

C24H25N3O3 — CID 46374719

IUPAC4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CNc3c(N4CCCCC4)c(=O)c3=O)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-16-5-11-19(12-6-16)26-24(30)18-9-7-17(8-10-18)15-25-20-21(23(29)22(20)28)27-13-3-2-4-14-27/h5-12,25H,2-4,13-15H2,1H3,(H,26,30)
InChIKeyQQQMLRVEWSZEBA-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.45
Rot. Bonds6

About 4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide

4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide (PubChem CID 46374719) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide
PubChem CID46374719
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CNc3c(N4CCCCC4)c(=O)c3=O)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-16-5-11-19(12-6-16)26-24(30)18-9-7-17(8-10-18)15-25-20-21(23(29)22(20)28)27-13-3-2-4-14-27/h5-12,25H,2-4,13-15H2,1H3,(H,26,30)
InChIKeyQQQMLRVEWSZEBA-UHFFFAOYSA-N
XLogP3.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide
CID 20888642
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]methyl]benzamide
CID 124772254
2-[(4-methylphenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109170032
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(4-methylphenyl)benzamide
CID 1408042
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
ethyl 4-[3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]propanoylamino]benzoate
CID 3245730
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
4-[[[2-(cyclohexylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 20889227

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide (CID 46374719) is 4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(CNc3c(N4CCCCC4)c(=O)c3=O)cc2)cc1.
What is the InChIKey of 4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide?
The InChIKey is QQQMLRVEWSZEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-5-11-19(12-6-16)26-24(30)18-9-7-17(8-10-18)15-25-20-21(23(29)22(20)28)27-13-3-2-4-14-27/h5-12,25H,2-4,13-15H2,1H3,(H,26,30).
What are the key properties of 4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide?
4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide has a molecular weight of 403.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)amino]methyl]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 46374719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).