N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide

C13H13N3O4 — CID 920066

IUPACN-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C13H13N3O4/c1-8(17)14-10-4-2-9(3-5-10)13(20)16-6-11(18)15-12(19)7-16/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18,19)
InChIKeyBLSDVPZNWYPNHP-UHFFFAOYSA-N
MW275.26 g/mol
LogP-0.26
Rot. Bonds2

About N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide

N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide (PubChem CID 920066) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide
PubChem CID920066
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC NameN-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C13H13N3O4/c1-8(17)14-10-4-2-9(3-5-10)13(20)16-6-11(18)15-12(19)7-16/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18,19)
InChIKeyBLSDVPZNWYPNHP-UHFFFAOYSA-N
XLogP-0.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Procainamide
CID 4913
Procainamide Hydrochloride
CID 66068
N-Acetylprocainamide
CID 4342
Tacedinaline
CID 2746
Balicatib
CID 10201696
Acecainide Hydrochloride
CID 71417
Dinaline
CID 42725
4-amino-N,N-diethylbenzamide
CID 458760
4-amino-N-benzylbenzamide
CID 577832
4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide
CID 3994
Sodium p-aminohippurate
CID 443971
SK-7041
CID 6918714

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide?
The IUPAC name of N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide (CID 920066) is N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide?
The InChIKey is BLSDVPZNWYPNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-8(17)14-10-4-2-9(3-5-10)13(20)16-6-11(18)15-12(19)7-16/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18,19).
What are the key properties of N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide?
N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide has a molecular weight of 275.26 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 920066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).