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

C12H20N4O2 — CID 55214063

IUPAC5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
SMILESCN(Cc1ccc(C(=O)NN)o1)C1CCNCC1
InChIInChI=1S/C12H20N4O2/c1-16(9-4-6-14-7-5-9)8-10-2-3-11(18-10)12(17)15-13/h2-3,9,14H,4-8,13H2,1H3,(H,15,17)
InChIKeySLUUEIYOVDWOHX-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.07
Rot. Bonds4

About 5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide

5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide (PubChem CID 55214063) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
PubChem CID55214063
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide
SMILESCN(Cc1ccc(C(=O)NN)o1)C1CCNCC1
InChIInChI=1S/C12H20N4O2/c1-16(9-4-6-14-7-5-9)8-10-2-3-11(18-10)12(17)15-13/h2-3,9,14H,4-8,13H2,1H3,(H,15,17)
InChIKeySLUUEIYOVDWOHX-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'}

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
CID 723466
N-cycloheptyl-5-methylfuran-2-carboxamide
CID 897030
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-furan-2-yl}-methanone
CID 11645244
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-methylfuran-2-yl)methanone
CID 24945299
5-[(Dibutylamino)methyl]-2-furohydrazide
CID 4126340
5-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 24981253
5-methyl-N-[1-(oxolan-2-yl)ethyl]furan-2-carboxamide
CID 6468221
4-(Furan-2-ylmethylamino)diazinane-3,6-dione
CID 2943205
N-[3-(morpholin-4-yl)propyl]furan-2-carboxamide
CID 2168338
5-[(Diethylamino)methyl]furan-2-carbohydrazide
CID 2090155
N-methyl-5-[(methylamino)methyl]furan-2-carboxamide
CID 50989062

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide (CID 55214063) is 5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide is CN(Cc1ccc(C(=O)NN)o1)C1CCNCC1.
What is the InChIKey of 5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide?
The InChIKey is SLUUEIYOVDWOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16(9-4-6-14-7-5-9)8-10-2-3-11(18-10)12(17)15-13/h2-3,9,14H,4-8,13H2,1H3,(H,15,17).
What are the key properties of 5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide?
5-[[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 5-[[methyl(piperidin-4-yl)amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 55214063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).