4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide

C14H17N3O3 — CID 66067656

IUPAC4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide
SMILESCCC1NCC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C14H17N3O3/c1-2-11-14(20)17(12(18)7-16-11)8-9-3-5-10(6-4-9)13(15)19/h3-6,11,16H,2,7-8H2,1H3,(H2,15,19)
InChIKeyJUGLSPAVSXXMJG-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.02
Rot. Bonds4

About 4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide

4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide (PubChem CID 66067656) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide
PubChem CID66067656
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide
SMILESCCC1NCC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C14H17N3O3/c1-2-11-14(20)17(12(18)7-16-11)8-9-3-5-10(6-4-9)13(15)19/h3-6,11,16H,2,7-8H2,1H3,(H2,15,19)
InChIKeyJUGLSPAVSXXMJG-UHFFFAOYSA-N
XLogP0.02
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.02
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 4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide?
The IUPAC name of 4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide (CID 66067656) is 4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide?
The canonical SMILES for 4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide is CCC1NCC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O.
What is the InChIKey of 4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide?
The InChIKey is JUGLSPAVSXXMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-11-14(20)17(12(18)7-16-11)8-9-3-5-10(6-4-9)13(15)19/h3-6,11,16H,2,7-8H2,1H3,(H2,15,19).
What are the key properties of 4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide?
4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-2,6-dioxopiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 66067656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).