2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine

C10H19N5O2 — CID 58488846

IUPAC2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine
SMILESCC(=O)[C@@H]1CN[C@@H](CCCN=C(N)N)C(=O)N1
InChIInChI=1S/C10H19N5O2/c1-6(16)8-5-14-7(9(17)15-8)3-2-4-13-10(11)12/h7-8,14H,2-5H2,1H3,(H,15,17)(H4,11,12,13)/t7-,8-/m0/s1
InChIKeySWLJGRYMZOFDGK-YUMQZZPRSA-N
MW241.29 g/mol
LogP-1.91
Rot. Bonds5

About 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine

2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine (PubChem CID 58488846) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine.

Molecular Properties

Compound Name2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine
PubChem CID58488846
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine
SMILESCC(=O)[C@@H]1CN[C@@H](CCCN=C(N)N)C(=O)N1
InChIInChI=1S/C10H19N5O2/c1-6(16)8-5-14-7(9(17)15-8)3-2-4-13-10(11)12/h7-8,14H,2-5H2,1H3,(H,15,17)(H4,11,12,13)/t7-,8-/m0/s1
InChIKeySWLJGRYMZOFDGK-YUMQZZPRSA-N
XLogP-1.91
TPSA122.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine 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 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine?
The IUPAC name of 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine (CID 58488846) is 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine.
What is the SMILES notation for 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine?
The canonical SMILES for 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine is CC(=O)[C@@H]1CN[C@@H](CCCN=C(N)N)C(=O)N1.
What is the InChIKey of 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine?
The InChIKey is SWLJGRYMZOFDGK-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-6(16)8-5-14-7(9(17)15-8)3-2-4-13-10(11)12/h7-8,14H,2-5H2,1H3,(H,15,17)(H4,11,12,13)/t7-,8-/m0/s1.
What are the key properties of 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine?
2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine has a molecular weight of 241.29 g/mol, XLogP of -1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2S,5S)-5-acetyl-3-oxopiperazin-2-yl]propyl]guanidine is sourced from PubChem (CID 58488846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).