5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide

C11H18N4O2 — CID 63583235

IUPAC5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN1CCNCC1
InChIInChI=1S/C11H18N4O2/c1-8-9(6-10(17-8)11(16)14-12)7-15-4-2-13-3-5-15/h6,13H,2-5,7,12H2,1H3,(H,14,16)
InChIKeyMKYQCNAJPCZKRZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.40
Rot. Bonds3

About 5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide

5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide (PubChem CID 63583235) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
PubChem CID63583235
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN1CCNCC1
InChIInChI=1S/C11H18N4O2/c1-8-9(6-10(17-8)11(16)14-12)7-15-4-2-13-3-5-15/h6,13H,2-5,7,12H2,1H3,(H,14,16)
InChIKeyMKYQCNAJPCZKRZ-UHFFFAOYSA-N
XLogP-0.40
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.40
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

4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63569181
2-[1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]piperidin-4-yl]acetamide
CID 63579534
4-[(3,5-dioxomorpholin-4-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63577829
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 63577670
5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 63583647
5-methyl-4-[(2-methyl-6-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 55213686
4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-carbohydrazide
CID 63572887
5-methyl-4-[(3-methyl-2-oxopiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 104680451
5-methyl-4-[(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]furan-2-carbohydrazide
CID 63580010
5-methyl-4-[(3-methyl-2-oxoimidazol-1-yl)methyl]furan-2-carbohydrazide
CID 80582837

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide?
The IUPAC name of 5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide (CID 63583235) is 5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CN1CCNCC1.
What is the InChIKey of 5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide?
The InChIKey is MKYQCNAJPCZKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-9(6-10(17-8)11(16)14-12)7-15-4-2-13-3-5-15/h6,13H,2-5,7,12H2,1H3,(H,14,16).
What are the key properties of 5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide?
5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide has a molecular weight of 238.29 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 63583235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).