5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide

C13H19N3O3 — CID 104680451

IUPAC5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN1CCCC(C)C1=O
InChIInChI=1S/C13H19N3O3/c1-8-4-3-5-16(13(8)18)7-10-6-11(12(17)15-14)19-9(10)2/h6,8H,3-5,7,14H2,1-2H3,(H,15,17)
InChIKeyOUUPIGGAGYAFTC-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.95
Rot. Bonds3

About 5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide

5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 104680451) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID104680451
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN1CCCC(C)C1=O
InChIInChI=1S/C13H19N3O3/c1-8-4-3-5-16(13(8)18)7-10-6-11(12(17)15-14)19-9(10)2/h6,8H,3-5,7,14H2,1-2H3,(H,15,17)
InChIKeyOUUPIGGAGYAFTC-UHFFFAOYSA-N
XLogP0.95
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-4-[(4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63569181
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide
CID 63569410
4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63568697
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide
CID 63579534
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 63585489
4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63577829
5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
CID 63583235
5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 63583647
5-methyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]furan-2-carbohydrazide
CID 63578147
5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 55213686

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide (CID 104680451) is 5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CN1CCCC(C)C1=O.
What is the InChIKey of 5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is OUUPIGGAGYAFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-4-3-5-16(13(8)18)7-10-6-11(12(17)15-14)19-9(10)2/h6,8H,3-5,7,14H2,1-2H3,(H,15,17).
What are the key properties of 5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide?
5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 265.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 104680451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).