3-(3-propoxypiperidin-1-yl)butanehydrazide

C12H25N3O2 — CID 63578064

IUPAC3-(3-propoxypiperidin-1-yl)butanehydrazide
SMILESCCCOC1CCCN(C(C)CC(=O)NN)C1
InChIInChI=1S/C12H25N3O2/c1-3-7-17-11-5-4-6-15(9-11)10(2)8-12(16)14-13/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyORQCZWGURNROQO-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.65
Rot. Bonds6

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

3-(3-propoxypiperidin-1-yl)butanehydrazide (PubChem CID 63578064) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(3-propoxypiperidin-1-yl)butanehydrazide.

Molecular Properties

Compound Name3-(3-propoxypiperidin-1-yl)butanehydrazide
PubChem CID63578064
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-(3-propoxypiperidin-1-yl)butanehydrazide
SMILESCCCOC1CCCN(C(C)CC(=O)NN)C1
InChIInChI=1S/C12H25N3O2/c1-3-7-17-11-5-4-6-15(9-11)10(2)8-12(16)14-13/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyORQCZWGURNROQO-UHFFFAOYSA-N
XLogP0.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.65
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypiperidin-1-yl)butanehydrazide?
The IUPAC name of 3-(3-propoxypiperidin-1-yl)butanehydrazide (CID 63578064) is 3-(3-propoxypiperidin-1-yl)butanehydrazide.
What is the SMILES notation for 3-(3-propoxypiperidin-1-yl)butanehydrazide?
The canonical SMILES for 3-(3-propoxypiperidin-1-yl)butanehydrazide is CCCOC1CCCN(C(C)CC(=O)NN)C1.
What is the InChIKey of 3-(3-propoxypiperidin-1-yl)butanehydrazide?
The InChIKey is ORQCZWGURNROQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-7-17-11-5-4-6-15(9-11)10(2)8-12(16)14-13/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 3-(3-propoxypiperidin-1-yl)butanehydrazide?
3-(3-propoxypiperidin-1-yl)butanehydrazide has a molecular weight of 243.35 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypiperidin-1-yl)butanehydrazide is sourced from PubChem (CID 63578064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).