5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide

C13H22N4O3 — CID 63571130

IUPAC5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN2CCN(CCO)CC2)oc1C(=O)NN
InChIInChI=1S/C13H22N4O3/c1-10-8-11(20-12(10)13(19)15-14)9-17-4-2-16(3-5-17)6-7-18/h8,18H,2-7,9,14H2,1H3,(H,15,19)
InChIKeyFAVQNARMZKUBRC-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.70
Rot. Bonds5

About 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide

5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63571130) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
PubChem CID63571130
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN2CCN(CCO)CC2)oc1C(=O)NN
InChIInChI=1S/C13H22N4O3/c1-10-8-11(20-12(10)13(19)15-14)9-17-4-2-16(3-5-17)6-7-18/h8,18H,2-7,9,14H2,1H3,(H,15,19)
InChIKeyFAVQNARMZKUBRC-UHFFFAOYSA-N
XLogP-0.70
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide (CID 63571130) is 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(CN2CCN(CCO)CC2)oc1C(=O)NN.
What is the InChIKey of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is FAVQNARMZKUBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10-8-11(20-12(10)13(19)15-14)9-17-4-2-16(3-5-17)6-7-18/h8,18H,2-7,9,14H2,1H3,(H,15,19).
What are the key properties of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide?
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 282.34 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63571130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).