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

C14H15N3O4 — CID 66084325

IUPACN-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C14H15N3O4/c1-9(18)15-6-10-2-4-11(5-3-10)14(21)17-7-12(19)16-13(20)8-17/h2-5H,6-8H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyASUHOPBDFODDLD-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.58
Rot. Bonds3

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

N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 66084325) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID66084325
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1
InChIInChI=1S/C14H15N3O4/c1-9(18)15-6-10-2-4-11(5-3-10)14(21)17-7-12(19)16-13(20)8-17/h2-5H,6-8H2,1H3,(H,15,18)(H,16,19,20)
InChIKeyASUHOPBDFODDLD-UHFFFAOYSA-N
XLogP-0.58
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide (CID 66084325) is N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CC(=O)NC(=O)C2)cc1.
What is the InChIKey of N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is ASUHOPBDFODDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9(18)15-6-10-2-4-11(5-3-10)14(21)17-7-12(19)16-13(20)8-17/h2-5H,6-8H2,1H3,(H,15,18)(H,16,19,20).
What are the key properties of N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide?
N-[[4-(3,5-dioxopiperazine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 289.29 g/mol, XLogP of -0.58, 3 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]methyl]acetamide is sourced from PubChem (CID 66084325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).