N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide

C15H16N4O4 — CID 138491543

IUPACN-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C15H16N4O4/c1-8(20)16-9-3-4-10-12(7-9)18(2)15(23)19(10)11-5-6-13(21)17-14(11)22/h3-4,7,11H,5-6H2,1-2H3,(H,16,20)(H,17,21,22)
InChIKeyCSZPGTRROXXITP-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.28
Rot. Bonds2

About N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide

N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide (PubChem CID 138491543) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide
PubChem CID138491543
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C15H16N4O4/c1-8(20)16-9-3-4-10-12(7-9)18(2)15(23)19(10)11-5-6-13(21)17-14(11)22/h3-4,7,11H,5-6H2,1-2H3,(H,16,20)(H,17,21,22)
InChIKeyCSZPGTRROXXITP-UHFFFAOYSA-N
XLogP0.28
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide?
The IUPAC name of N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide (CID 138491543) is N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide?
The canonical SMILES for N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide?
The InChIKey is CSZPGTRROXXITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-8(20)16-9-3-4-10-12(7-9)18(2)15(23)19(10)11-5-6-13(21)17-14(11)22/h3-4,7,11H,5-6H2,1-2H3,(H,16,20)(H,17,21,22).
What are the key properties of N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide?
N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]acetamide is sourced from PubChem (CID 138491543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).