4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione

C11H21N3O2 — CID 66067337

IUPAC4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC(CCN)N1CC(=O)NC(=O)C1CC
InChIInChI=1S/C11H21N3O2/c1-3-8(5-6-12)14-7-10(15)13-11(16)9(14)4-2/h8-9H,3-7,12H2,1-2H3,(H,13,15,16)
InChIKeyDOAYXOOLOBRSSE-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.15
Rot. Bonds5

About 4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione

4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione (PubChem CID 66067337) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione
PubChem CID66067337
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione
SMILESCCC(CCN)N1CC(=O)NC(=O)C1CC
InChIInChI=1S/C11H21N3O2/c1-3-8(5-6-12)14-7-10(15)13-11(16)9(14)4-2/h8-9H,3-7,12H2,1-2H3,(H,13,15,16)
InChIKeyDOAYXOOLOBRSSE-UHFFFAOYSA-N
XLogP-0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-1-phenylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068482
4-(2-amino-1-pyridin-2-ylethyl)-3-ethylpiperazine-2,6-dione
CID 66068683
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
4-[2-amino-1-(1-methylpyrazol-4-yl)butyl]-3-ethylpiperazine-2,6-dione
CID 66069633
4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
CID 66068681
4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068677
2-ethyl-3,5-dioxopiperazine-1-sulfonamide
CID 66067408
3-ethyl-4-(1-oxo-1-phenylpropan-2-yl)piperazine-2,6-dione
CID 66068748
4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
CID 43174942
4-(2-amino-1-pyridin-3-ylpropyl)-3-ethylpiperazine-2,6-dione
CID 66067712
4-(4-amino-2,6-dichlorophenyl)-3-ethylpiperazine-2,6-dione
CID 106890549
4-[(2S)-2-amino-3-methylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 79026797

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione (CID 66067337) is 4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione is CCC(CCN)N1CC(=O)NC(=O)C1CC.
What is the InChIKey of 4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione?
The InChIKey is DOAYXOOLOBRSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-8(5-6-12)14-7-10(15)13-11(16)9(14)4-2/h8-9H,3-7,12H2,1-2H3,(H,13,15,16).
What are the key properties of 4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione?
4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione has a molecular weight of 227.31 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-3-yl)-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66067337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).