4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide

C15H20N4O3 — CID 58996494

IUPAC4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCN2CCN(C)C(=O)C2=O)cc1
InChIInChI=1S/C15H20N4O3/c1-18-8-9-19(15(21)14(18)20)7-2-10-22-12-5-3-11(4-6-12)13(16)17/h3-6H,2,7-10H2,1H3,(H3,16,17)
InChIKeyNOOHDURXZSEQBO-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.04
Rot. Bonds6

About 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide

4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide (PubChem CID 58996494) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide
PubChem CID58996494
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCN2CCN(C)C(=O)C2=O)cc1
InChIInChI=1S/C15H20N4O3/c1-18-8-9-19(15(21)14(18)20)7-2-10-22-12-5-3-11(4-6-12)13(16)17/h3-6H,2,7-10H2,1H3,(H3,16,17)
InChIKeyNOOHDURXZSEQBO-UHFFFAOYSA-N
XLogP0.04
TPSA99.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]propoxy]benzenecarboximidamide
CID 10238663
ethyl 4-[3-[4-[3-[4-(C-ethoxycarbonimidoyl)phenoxy]propyl]-2,3-dioxopiperazin-1-yl]propoxy]benzenecarboximidate
CID 58996541
3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]-3-(4-chlorophenyl)propanoic acid
CID 22122259
3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]-3-(1,3-thiazol-5-yl)propanoic acid
CID 22122315
3-[4-[3-(4-carbamimidoylphenoxy)propyl]-2,3-dioxopiperazin-1-yl]-3-thiophen-3-ylpropanoic acid
CID 22122279
4-butoxybenzenecarboximidamide
CID 3015454
2-[4-[4-(4-carbamimidoylphenoxy)butyl]-2,3-dioxopiperazin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 67554940
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-octoxybenzenecarboximidamide
CID 3302492

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide?
The IUPAC name of 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide (CID 58996494) is 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide?
The canonical SMILES for 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCN2CCN(C)C(=O)C2=O)cc1.
What is the InChIKey of 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide?
The InChIKey is NOOHDURXZSEQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-18-8-9-19(15(21)14(18)20)7-2-10-22-12-5-3-11(4-6-12)13(16)17/h3-6H,2,7-10H2,1H3,(H3,16,17).
What are the key properties of 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide?
4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide has a molecular weight of 304.35 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methyl-2,3-dioxopiperazin-1-yl)propoxy]benzenecarboximidamide is sourced from PubChem (CID 58996494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).