5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione

C11H20FN3O2 — CID 58093314

IUPAC5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione
SMILESCC(C)(C)N1CC(CC(N)CF)NC(=O)C1=O
InChIInChI=1S/C11H20FN3O2/c1-11(2,3)15-6-8(4-7(13)5-12)14-9(16)10(15)17/h7-8H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyYPWKGYSAHSAHGN-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.20
Rot. Bonds3

About 5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione

5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione (PubChem CID 58093314) has the molecular formula C11H20FN3O2 and a molecular weight of 245.30 g/mol. Its IUPAC name is 5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione.

Molecular Properties

Compound Name5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione
PubChem CID58093314
Molecular FormulaC11H20FN3O2
Molecular Weight245.30 g/mol
Exact Mass245.15
IUPAC Name5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione
SMILESCC(C)(C)N1CC(CC(N)CF)NC(=O)C1=O
InChIInChI=1S/C11H20FN3O2/c1-11(2,3)15-6-8(4-7(13)5-12)14-9(16)10(15)17/h7-8H,4-6,13H2,1-3H3,(H,14,16)
InChIKeyYPWKGYSAHSAHGN-UHFFFAOYSA-N
XLogP-0.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
N-(1-acetylpiperidin-3-yl)propanamide
CID 44454221
2-(4-aminopiperidin-1-yl)-N-methylacetamide
CID 18071178
N-cyclopentyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 5310193
(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 16745935
N-butyl-2-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-N-propylacetamide
CID 49853581
N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-(pentan-3-yl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853777
N-cyclopentyl-2-(4-propanoylpiperazin-1-yl)propanamide
CID 49853981
2-(4-Aminopiperidin-1-YL)-N,N-diethylacetamide
CID 16770474
2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide
CID 16774281

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione?
The IUPAC name of 5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione (CID 58093314) is 5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione.
What is the SMILES notation for 5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione?
The canonical SMILES for 5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione is CC(C)(C)N1CC(CC(N)CF)NC(=O)C1=O.
What is the InChIKey of 5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione?
The InChIKey is YPWKGYSAHSAHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O2/c1-11(2,3)15-6-8(4-7(13)5-12)14-9(16)10(15)17/h7-8H,4-6,13H2,1-3H3,(H,14,16).
What are the key properties of 5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione?
5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione has a molecular weight of 245.30 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-fluoropropyl)-1-tert-butylpiperazine-2,3-dione is sourced from PubChem (CID 58093314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).