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

C13H21N3O3 — CID 5310193

IUPACN-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC2CCCC2)C(=O)C1=O
InChIInChI=1S/C13H21N3O3/c1-2-15-7-8-16(13(19)12(15)18)9-11(17)14-10-5-3-4-6-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeyCGEWXFFLHDDBPZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.26
Rot. Bonds4

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

N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (PubChem CID 5310193) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
PubChem CID5310193
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)NC2CCCC2)C(=O)C1=O
InChIInChI=1S/C13H21N3O3/c1-2-15-7-8-16(13(19)12(15)18)9-11(17)14-10-5-3-4-6-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeyCGEWXFFLHDDBPZ-UHFFFAOYSA-N
XLogP-0.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.26
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-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (CID 5310193) is N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is CCN1CCN(CC(=O)NC2CCCC2)C(=O)C1=O.
What is the InChIKey of N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The InChIKey is CGEWXFFLHDDBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-15-7-8-16(13(19)12(15)18)9-11(17)14-10-5-3-4-6-10/h10H,2-9H2,1H3,(H,14,17).
What are the key properties of N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 5310193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).