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

C14H23N3O3 — CID 63578962

IUPAC3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCCCOC1CCCN(Cc2ccoc2C(=O)NN)C1
InChIInChI=1S/C14H23N3O3/c1-2-7-19-12-4-3-6-17(10-12)9-11-5-8-20-13(11)14(18)16-15/h5,8,12H,2-4,6-7,9-10,15H2,1H3,(H,16,18)
InChIKeyFDTYWZKWAKKGRI-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.27
Rot. Bonds6

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

3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63578962) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63578962
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide
SMILESCCCOC1CCCN(Cc2ccoc2C(=O)NN)C1
InChIInChI=1S/C14H23N3O3/c1-2-7-19-12-4-3-6-17(10-12)9-11-5-8-20-13(11)14(18)16-15/h5,8,12H,2-4,6-7,9-10,15H2,1H3,(H,16,18)
InChIKeyFDTYWZKWAKKGRI-UHFFFAOYSA-N
XLogP1.27
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
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

3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 114683794
3-(piperidin-1-ylmethyl)furan-2-carbohydrazide
CID 63568851
3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572820
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 79184345
ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate
CID 81339448
3-[(4-hydroxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63570591
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894
N-[4-[[(3S)-3-propoxypiperidin-1-yl]methyl]phenyl]acetamide
CID 95123718
3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572129
2-[1-[[2-(hydrazinecarbonyl)furan-3-yl]methyl]piperidin-4-yl]acetamide
CID 63578815
4-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]phenol
CID 103947572
4-methoxy-2-[(3-propoxypiperidin-1-yl)methyl]aniline
CID 115413955

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide (CID 63578962) is 3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide is CCCOC1CCCN(Cc2ccoc2C(=O)NN)C1.
What is the InChIKey of 3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is FDTYWZKWAKKGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-7-19-12-4-3-6-17(10-12)9-11-5-8-20-13(11)14(18)16-15/h5,8,12H,2-4,6-7,9-10,15H2,1H3,(H,16,18).
What are the key properties of 3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide?
3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 281.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propoxypiperidin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63578962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).