5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide

C13H21N3O2 — CID 63578224

IUPAC5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCCC1CCN(Cc2cc(C(=O)NN)co2)CC1
InChIInChI=1S/C13H21N3O2/c1-2-10-3-5-16(6-4-10)8-12-7-11(9-18-12)13(17)15-14/h7,9-10H,2-6,8,14H2,1H3,(H,15,17)
InChIKeyVTHBJPSAFPKWDU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds4

About 5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide

5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63578224) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63578224
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCCC1CCN(Cc2cc(C(=O)NN)co2)CC1
InChIInChI=1S/C13H21N3O2/c1-2-10-3-5-16(6-4-10)8-12-7-11(9-18-12)13(17)15-14/h7,9-10H,2-6,8,14H2,1H3,(H,15,17)
InChIKeyVTHBJPSAFPKWDU-UHFFFAOYSA-N
XLogP1.51
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63585207
5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569061
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 103540560
5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]furan-3-carbohydrazide
CID 63584824
5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63570944
5-[(4-methyl-3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 64696021
3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
1-[5-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62412564
5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63568674
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584588

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide (CID 63578224) is 5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide is CCC1CCN(Cc2cc(C(=O)NN)co2)CC1.
What is the InChIKey of 5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is VTHBJPSAFPKWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-10-3-5-16(6-4-10)8-12-7-11(9-18-12)13(17)15-14/h7,9-10H,2-6,8,14H2,1H3,(H,15,17).
What are the key properties of 5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide?
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 251.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63578224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).