3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide

C12H20N4O2 — CID 63577197

IUPAC3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
SMILESCN(Cc1ccoc1C(=O)NN)C1CCNCC1
InChIInChI=1S/C12H20N4O2/c1-16(10-2-5-14-6-3-10)8-9-4-7-18-11(9)12(17)15-13/h4,7,10,14H,2-3,5-6,8,13H2,1H3,(H,15,17)
InChIKeyMMCHRGPZIMOBHQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.07
Rot. Bonds4

About 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide

3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide (PubChem CID 63577197) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
PubChem CID63577197
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
SMILESCN(Cc1ccoc1C(=O)NN)C1CCNCC1
InChIInChI=1S/C12H20N4O2/c1-16(10-2-5-14-6-3-10)8-9-4-7-18-11(9)12(17)15-13/h4,7,10,14H,2-3,5-6,8,13H2,1H3,(H,15,17)
InChIKeyMMCHRGPZIMOBHQ-UHFFFAOYSA-N
XLogP0.07
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.07
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'}

Analyze 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide with MolForge

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Related Compounds

3-[(dimethylamino)methyl]furan-2-carbohydrazide
CID 63571555
3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]furan-2-carbohydrazide
CID 63573141
5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
CID 55214063
3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578786
methyl 3-[[ethyl(piperidin-4-yl)amino]methyl]furan-2-carboxylate
CID 60806955
3-[[methyl-(4-methylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 61437232
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63572264
3-[[bis(prop-2-enyl)amino]methyl]furan-2-carbohydrazide
CID 63571598
3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-2-carbohydrazide
CID 63579662
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-carbohydrazide
CID 81067916
3-[(3-cyano-N-methylanilino)methyl]furan-2-carbohydrazide
CID 63574156
3-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 112666648

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide (CID 63577197) is 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide is CN(Cc1ccoc1C(=O)NN)C1CCNCC1.
What is the InChIKey of 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is MMCHRGPZIMOBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(10-2-5-14-6-3-10)8-9-4-7-18-11(9)12(17)15-13/h4,7,10,14H,2-3,5-6,8,13H2,1H3,(H,15,17).
What are the key properties of 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide?
3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide has a molecular weight of 252.32 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63577197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).