5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide

C10H14N4O3 — CID 63568674

IUPAC5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN2CCNC(=O)C2)c1
InChIInChI=1S/C10H14N4O3/c11-13-10(16)7-3-8(17-6-7)4-14-2-1-12-9(15)5-14/h3,6H,1-2,4-5,11H2,(H,12,15)(H,13,16)
InChIKeyUZMCUYCKGGNJFS-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.19
Rot. Bonds3

About 5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide

5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63568674) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63568674
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(CN2CCNC(=O)C2)c1
InChIInChI=1S/C10H14N4O3/c11-13-10(16)7-3-8(17-6-7)4-14-2-1-12-9(15)5-14/h3,6H,1-2,4-5,11H2,(H,12,15)(H,13,16)
InChIKeyUZMCUYCKGGNJFS-UHFFFAOYSA-N
XLogP-1.19
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
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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Related Compounds

5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 64696021
4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one
CID 82507792
5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569061
5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-3-carbohydrazide
CID 63584824
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63571860
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 103540560
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63585207
3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
CID 65366701
5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397934
5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63577370
3-(3-oxopiperazin-1-yl)propanehydrazide
CID 63570078

Frequently Asked Questions

What is the IUPAC name of 5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide (CID 63568674) is 5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(CN2CCNC(=O)C2)c1.
What is the InChIKey of 5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is UZMCUYCKGGNJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-13-10(16)7-3-8(17-6-7)4-14-2-1-12-9(15)5-14/h3,6H,1-2,4-5,11H2,(H,12,15)(H,13,16).
What are the key properties of 5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide?
5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 238.25 g/mol, XLogP of -1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63568674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).