5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide

C11H16N4O3 — CID 64696021

IUPAC5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
SMILESCN1CCN(Cc2cc(C(=O)NN)co2)CC1=O
InChIInChI=1S/C11H16N4O3/c1-14-2-3-15(6-10(14)16)5-9-4-8(7-18-9)11(17)13-12/h4,7H,2-3,5-6,12H2,1H3,(H,13,17)
InChIKeyQZQKZKQUTVXJSU-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.84
Rot. Bonds3

About 5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide

5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 64696021) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID64696021
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
SMILESCN1CCN(Cc2cc(C(=O)NN)co2)CC1=O
InChIInChI=1S/C11H16N4O3/c1-14-2-3-15(6-10(14)16)5-9-4-8(7-18-9)11(17)13-12/h4,7H,2-3,5-6,12H2,1H3,(H,13,17)
InChIKeyQZQKZKQUTVXJSU-UHFFFAOYSA-N
XLogP-0.84
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.84
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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Related Compounds

5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63568674
4-[(4-methyl-3-oxopiperazin-1-yl)methyl]benzohydrazide
CID 64693334
5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569061
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 103540560
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-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581288
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63585207
5-[(2-oxoazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63577370
5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63570944
5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]furan-3-carbohydrazide
CID 79886873

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide (CID 64696021) is 5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide is CN1CCN(Cc2cc(C(=O)NN)co2)CC1=O.
What is the InChIKey of 5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is QZQKZKQUTVXJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14-2-3-15(6-10(14)16)5-9-4-8(7-18-9)11(17)13-12/h4,7H,2-3,5-6,12H2,1H3,(H,13,17).
What are the key properties of 5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide?
5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 252.27 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 64696021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).