N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

C14H23N3O3 — CID 5310007

IUPACN-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC2CCCCC2)C(=O)C1=O
InChIInChI=1S/C14H23N3O3/c1-2-16-8-9-17(14(20)13(16)19)10-12(18)15-11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,15,18)
InChIKeyUWOLWXPKWTVIBJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.13
Rot. Bonds4

About N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (PubChem CID 5310007) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
PubChem CID5310007
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC2CCCCC2)C(=O)C1=O
InChIInChI=1S/C14H23N3O3/c1-2-16-8-9-17(14(20)13(16)19)10-12(18)15-11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,15,18)
InChIKeyUWOLWXPKWTVIBJ-UHFFFAOYSA-N
XLogP0.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (CID 5310007) is N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is CCN1CCN(CC(=O)NC2CCCCC2)C(=O)C1=O.
What is the InChIKey of N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The InChIKey is UWOLWXPKWTVIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-16-8-9-17(14(20)13(16)19)10-12(18)15-11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,15,18).
What are the key properties of N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 5310007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).