4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C17H21N3O5S — CID 46566529

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1
InChIInChI=1S/C17H21N3O5S/c1-26(24,25)19-10-8-13(9-11-19)18-17(23)12-2-4-14(5-3-12)20-15(21)6-7-16(20)22/h2-5,13H,6-11H2,1H3,(H,18,23)
InChIKeyXOAKRDBAWOGHED-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.49
Rot. Bonds4

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 46566529) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID46566529
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCS(=O)(=O)N1CCC(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1
InChIInChI=1S/C17H21N3O5S/c1-26(24,25)19-10-8-13(9-11-19)18-17(23)12-2-4-14(5-3-12)20-15(21)6-7-16(20)22/h2-5,13H,6-11H2,1H3,(H,18,23)
InChIKeyXOAKRDBAWOGHED-UHFFFAOYSA-N
XLogP0.49
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999696
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31542255
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
2,6-dichloro-N-(1-methylsulfonylpiperidin-4-yl)pyridine-4-carboxamide
CID 60734326
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
3-bromo-5-chloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 103826480

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 46566529) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is CS(=O)(=O)N1CCC(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is XOAKRDBAWOGHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-26(24,25)19-10-8-13(9-11-19)18-17(23)12-2-4-14(5-3-12)20-15(21)6-7-16(20)22/h2-5,13H,6-11H2,1H3,(H,18,23).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 379.44 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 46566529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).