3-(3-ethoxypiperidin-1-yl)butanehydrazide

C11H23N3O2 — CID 63578982

IUPAC3-(3-ethoxypiperidin-1-yl)butanehydrazide
SMILESCCOC1CCCN(C(C)CC(=O)NN)C1
InChIInChI=1S/C11H23N3O2/c1-3-16-10-5-4-6-14(8-10)9(2)7-11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyHLBALNKOJCVNMH-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.26
Rot. Bonds5

About 3-(3-ethoxypiperidin-1-yl)butanehydrazide

3-(3-ethoxypiperidin-1-yl)butanehydrazide (PubChem CID 63578982) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)butanehydrazide
PubChem CID63578982
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-(3-ethoxypiperidin-1-yl)butanehydrazide
SMILESCCOC1CCCN(C(C)CC(=O)NN)C1
InChIInChI=1S/C11H23N3O2/c1-3-16-10-5-4-6-14(8-10)9(2)7-11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyHLBALNKOJCVNMH-UHFFFAOYSA-N
XLogP0.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.26
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

3-(4-ethoxypiperidin-1-yl)butanehydrazide
CID 63573765
3-(3-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide
CID 76910258
3-(3-ethoxypiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 55069047
3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid
CID 64696034
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
4-amino-3-(3-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
CID 66431044
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981
3-(4-butan-2-ylpiperazin-1-yl)butanehydrazide
CID 63573949
ethyl 1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 62028790
ethyl (3R)-1-(4-ethoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 115538013
ethyl (3R)-1-(4-methoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 113331162
ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
CID 102984888

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)butanehydrazide?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)butanehydrazide (CID 63578982) is 3-(3-ethoxypiperidin-1-yl)butanehydrazide.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)butanehydrazide?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)butanehydrazide is CCOC1CCCN(C(C)CC(=O)NN)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)butanehydrazide?
The InChIKey is HLBALNKOJCVNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-16-10-5-4-6-14(8-10)9(2)7-11(15)13-12/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 3-(3-ethoxypiperidin-1-yl)butanehydrazide?
3-(3-ethoxypiperidin-1-yl)butanehydrazide has a molecular weight of 229.32 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)butanehydrazide is sourced from PubChem (CID 63578982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).