5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide

C13H18N4O4 — CID 79937009

IUPAC5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
SMILESCCCN1CC(=O)N(Cc2ccc(C(=O)NN)o2)CC1=O
InChIInChI=1S/C13H18N4O4/c1-2-5-16-7-12(19)17(8-11(16)18)6-9-3-4-10(21-9)13(20)15-14/h3-4H,2,5-8,14H2,1H3,(H,15,20)
InChIKeyMGOJTAIYFGHQSA-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.54
Rot. Bonds5

About 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide

5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 79937009) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID79937009
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
SMILESCCCN1CC(=O)N(Cc2ccc(C(=O)NN)o2)CC1=O
InChIInChI=1S/C13H18N4O4/c1-2-5-16-7-12(19)17(8-11(16)18)6-9-3-4-10(21-9)13(20)15-14/h3-4H,2,5-8,14H2,1H3,(H,15,20)
InChIKeyMGOJTAIYFGHQSA-UHFFFAOYSA-N
XLogP-0.54
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide (CID 79937009) is 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide is CCCN1CC(=O)N(Cc2ccc(C(=O)NN)o2)CC1=O.
What is the InChIKey of 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is MGOJTAIYFGHQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-2-5-16-7-12(19)17(8-11(16)18)6-9-3-4-10(21-9)13(20)15-14/h3-4H,2,5-8,14H2,1H3,(H,15,20).
What are the key properties of 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 294.31 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dioxo-4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 79937009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).