5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide

C13H21N3O2 — CID 55213258

IUPAC5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCC1(C)CCN(Cc2ccc(C(=O)NN)o2)CC1
InChIInChI=1S/C13H21N3O2/c1-13(2)5-7-16(8-6-13)9-10-3-4-11(18-10)12(17)15-14/h3-4H,5-9,14H2,1-2H3,(H,15,17)
InChIKeyOMLNIHCJYRZZDG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds3

About 5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide

5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 55213258) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID55213258
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCC1(C)CCN(Cc2ccc(C(=O)NN)o2)CC1
InChIInChI=1S/C13H21N3O2/c1-13(2)5-7-16(8-6-13)9-10-3-4-11(18-10)12(17)15-14/h3-4H,5-9,14H2,1-2H3,(H,15,17)
InChIKeyOMLNIHCJYRZZDG-UHFFFAOYSA-N
XLogP1.51
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-2-carbohydrazide
CID 107458810
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 63577895
5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 102968693
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-2-carbohydrazide
CID 65322215
5-[(2-oxoazocan-1-yl)methyl]furan-2-carbohydrazide
CID 55214250
5-[(3-oxomorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 79468557
5-[(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)methyl]furan-2-carbohydrazide
CID 63578730

Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide (CID 55213258) is 5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide is CC1(C)CCN(Cc2ccc(C(=O)NN)o2)CC1.
What is the InChIKey of 5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is OMLNIHCJYRZZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2)5-7-16(8-6-13)9-10-3-4-11(18-10)12(17)15-14/h3-4H,5-9,14H2,1-2H3,(H,15,17).
What are the key properties of 5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 251.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 55213258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).