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

C14H23N3O2 — CID 63572820

IUPAC3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCCCC1CCN(Cc2ccoc2C(=O)NN)CC1
InChIInChI=1S/C14H23N3O2/c1-2-3-11-4-7-17(8-5-11)10-12-6-9-19-13(12)14(18)16-15/h6,9,11H,2-5,7-8,10,15H2,1H3,(H,16,18)
InChIKeyVVKWSOLFEINDNB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.90
Rot. Bonds5

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

3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63572820) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63572820
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCCCC1CCN(Cc2ccoc2C(=O)NN)CC1
InChIInChI=1S/C14H23N3O2/c1-2-3-11-4-7-17(8-5-11)10-12-6-9-19-13(12)14(18)16-15/h6,9,11H,2-5,7-8,10,15H2,1H3,(H,16,18)
InChIKeyVVKWSOLFEINDNB-UHFFFAOYSA-N
XLogP1.90
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.90
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

2-[1-[[2-(hydrazinecarbonyl)furan-3-yl]methyl]piperidin-4-yl]acetamide
CID 63578815
3-[(4-hydroxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63570591
3-(piperidin-1-ylmethyl)furan-2-carbohydrazide
CID 63568851
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 114683794
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 79184345
3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide
CID 102774559
3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63578962
3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572129
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 167982801
3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-2-carbohydrazide
CID 63572264
3-[(dimethylamino)methyl]furan-2-carbohydrazide
CID 63571555
[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62439493

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide (CID 63572820) is 3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide is CCCC1CCN(Cc2ccoc2C(=O)NN)CC1.
What is the InChIKey of 3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is VVKWSOLFEINDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-11-4-7-17(8-5-11)10-12-6-9-19-13(12)14(18)16-15/h6,9,11H,2-5,7-8,10,15H2,1H3,(H,16,18).
What are the key properties of 3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide?
3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 265.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63572820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).