4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione

C13H21N3O3 — CID 82768361

IUPAC4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C1(C)CCCC1N
InChIInChI=1S/C13H21N3O3/c1-3-8-11(18)15-10(17)7-16(8)12(19)13(2)6-4-5-9(13)14/h8-9H,3-7,14H2,1-2H3,(H,15,17,18)
InChIKeyWWPXWBHKVKGYJH-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.23
Rot. Bonds2

About 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione

4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione (PubChem CID 82768361) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
PubChem CID82768361
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)C1(C)CCCC1N
InChIInChI=1S/C13H21N3O3/c1-3-8-11(18)15-10(17)7-16(8)12(19)13(2)6-4-5-9(13)14/h8-9H,3-7,14H2,1-2H3,(H,15,17,18)
InChIKeyWWPXWBHKVKGYJH-UHFFFAOYSA-N
XLogP-0.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione (CID 82768361) is 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)C1(C)CCCC1N.
What is the InChIKey of 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione?
The InChIKey is WWPXWBHKVKGYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-8-11(18)15-10(17)7-16(8)12(19)13(2)6-4-5-9(13)14/h8-9H,3-7,14H2,1-2H3,(H,15,17,18).
What are the key properties of 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione?
4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione has a molecular weight of 267.33 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-methylcyclopentanecarbonyl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 82768361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).