5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide

C13H20N4O3 — CID 63606344

IUPAC5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN2CCNC(=O)C2(C)C)cc1C(=O)NN
InChIInChI=1S/C13H20N4O3/c1-8-10(11(18)16-14)6-9(20-8)7-17-5-4-15-12(19)13(17,2)3/h6H,4-5,7,14H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyWYHNZTJUGCQHHI-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.10
Rot. Bonds3

About 5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide

5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide (PubChem CID 63606344) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
PubChem CID63606344
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN2CCNC(=O)C2(C)C)cc1C(=O)NN
InChIInChI=1S/C13H20N4O3/c1-8-10(11(18)16-14)6-9(20-8)7-17-5-4-15-12(19)13(17,2)3/h6H,4-5,7,14H2,1-3H3,(H,15,19)(H,16,18)
InChIKeyWYHNZTJUGCQHHI-UHFFFAOYSA-N
XLogP-0.10
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.10
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-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 63577670
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63574155
2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569059
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 55213052
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970
5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63572070
2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid
CID 61023796
2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812364
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55214458
2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63625273
2-[1-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl]piperidin-4-yl]acetamide
CID 63579170

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide (CID 63606344) is 5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide is Cc1oc(CN2CCNC(=O)C2(C)C)cc1C(=O)NN.
What is the InChIKey of 5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is WYHNZTJUGCQHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-10(11(18)16-14)6-9(20-8)7-17-5-4-15-12(19)13(17,2)3/h6H,4-5,7,14H2,1-3H3,(H,15,19)(H,16,18).
What are the key properties of 5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide?
5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 280.33 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63606344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).