4-(2-aminopropyl)piperazine-2,6-dione

C7H13N3O2 — CID 102689066

IUPAC4-(2-aminopropyl)piperazine-2,6-dione
SMILESCC(N)CN1CC(=O)NC(=O)C1
InChIInChI=1S/C7H13N3O2/c1-5(8)2-10-3-6(11)9-7(12)4-10/h5H,2-4,8H2,1H3,(H,9,11,12)
InChIKeyLRTKJTIUOMGPTM-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.71
Rot. Bonds2

About 4-(2-aminopropyl)piperazine-2,6-dione

4-(2-aminopropyl)piperazine-2,6-dione (PubChem CID 102689066) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(2-aminopropyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-aminopropyl)piperazine-2,6-dione
PubChem CID102689066
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name4-(2-aminopropyl)piperazine-2,6-dione
SMILESCC(N)CN1CC(=O)NC(=O)C1
InChIInChI=1S/C7H13N3O2/c1-5(8)2-10-3-6(11)9-7(12)4-10/h5H,2-4,8H2,1H3,(H,9,11,12)
InChIKeyLRTKJTIUOMGPTM-UHFFFAOYSA-N
XLogP-1.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-aminopropyl)piperazine-2,6-dione (CID 102689066) is 4-(2-aminopropyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-aminopropyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-aminopropyl)piperazine-2,6-dione is CC(N)CN1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2-aminopropyl)piperazine-2,6-dione?
The InChIKey is LRTKJTIUOMGPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5(8)2-10-3-6(11)9-7(12)4-10/h5H,2-4,8H2,1H3,(H,9,11,12).
What are the key properties of 4-(2-aminopropyl)piperazine-2,6-dione?
4-(2-aminopropyl)piperazine-2,6-dione has a molecular weight of 171.20 g/mol, XLogP of -1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)piperazine-2,6-dione is sourced from PubChem (CID 102689066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).