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

C12H20N4O2 — CID 63569726

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
SMILESCCN1CCN(Cc2occc2C(=O)NN)CC1
InChIInChI=1S/C12H20N4O2/c1-2-15-4-6-16(7-5-15)9-11-10(3-8-18-11)12(17)14-13/h3,8H,2,4-7,9,13H2,1H3,(H,14,17)
InChIKeyDAKBXDCRQHFILI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.02
Rot. Bonds4

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

2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63569726) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63569726
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide
SMILESCCN1CCN(Cc2occc2C(=O)NN)CC1
InChIInChI=1S/C12H20N4O2/c1-2-15-4-6-16(7-5-15)9-11-10(3-8-18-11)12(17)14-13/h3,8H,2,4-7,9,13H2,1H3,(H,14,17)
InChIKeyDAKBXDCRQHFILI-UHFFFAOYSA-N
XLogP0.02
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.02
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

2-[[4-(dimethylamino)piperidin-1-yl]methyl]furan-3-carbohydrazide
CID 63572172
2-[(4-ethoxypiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63572841
2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
CID 63577489
2-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63583335
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584457
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 112629365
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-carbohydrazide
CID 66371047
2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63583479
2-(diethylaminomethyl)furan-3-carbohydrazide
CID 63570482
2-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-carbohydrazide
CID 63583097
2-[(3-oxomorpholin-4-yl)methyl]furan-3-carbohydrazide
CID 79469519
2-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581105

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide (CID 63569726) is 2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide is CCN1CCN(Cc2occc2C(=O)NN)CC1.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is DAKBXDCRQHFILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-15-4-6-16(7-5-15)9-11-10(3-8-18-11)12(17)14-13/h3,8H,2,4-7,9,13H2,1H3,(H,14,17).
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide?
2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 252.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63569726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).