4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide

C18H26N4O4S — CID 20930287

IUPAC4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1
InChIInChI=1S/C18H26N4O4S/c1-19(2)27(25,26)21-10-8-16(9-11-21)22-13-12-20(17(23)18(22)24)14-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3
InChIKeyKCAYVSOPZFGMLB-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.13
Rot. Bonds5

About 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide

4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 20930287) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID20930287
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1
InChIInChI=1S/C18H26N4O4S/c1-19(2)27(25,26)21-10-8-16(9-11-21)22-13-12-20(17(23)18(22)24)14-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3
InChIKeyKCAYVSOPZFGMLB-UHFFFAOYSA-N
XLogP0.13
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53084948
1-[(4-fluorophenyl)methyl]-4-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53023714
1-benzyl-3-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]imidazolidin-2-one
CID 53083205
1-[(3-fluorophenyl)methyl]-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53004248
1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-[(4-methylphenyl)methyl]piperazine-2,3-dione
CID 53084939
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 53030710
4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 70743543
1-[1-(benzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
CID 53083134
1-benzyl-4-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]piperazine-2,3-dione
CID 53053323
1-cyclopentyl-4-[(1-oxido-6-phenylpyridin-1-ium-3-yl)methyl]piperazine-2,3-dione
CID 166103469
1-benzyl-4-methylpiperazine-2,3-dione;ethane
CID 142485528
4-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 98410970

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide (CID 20930287) is 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(N2CCN(Cc3ccccc3)C(=O)C2=O)CC1.
What is the InChIKey of 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is KCAYVSOPZFGMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-19(2)27(25,26)21-10-8-16(9-11-21)22-13-12-20(17(23)18(22)24)14-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3.
What are the key properties of 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide?
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 394.50 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 20930287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).