5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide

C13H25N3O2 — CID 63573722

IUPAC5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCC1CCN(CC2CCC(C(=O)NN)O2)C(C)C1
InChIInChI=1S/C13H25N3O2/c1-9-5-6-16(10(2)7-9)8-11-3-4-12(18-11)13(17)15-14/h9-12H,3-8,14H2,1-2H3,(H,15,17)
InChIKeyYTVDMNOQCMKADK-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.64
Rot. Bonds3

About 5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide

5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 63573722) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide
PubChem CID63573722
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCC1CCN(CC2CCC(C(=O)NN)O2)C(C)C1
InChIInChI=1S/C13H25N3O2/c1-9-5-6-16(10(2)7-9)8-11-3-4-12(18-11)13(17)15-14/h9-12H,3-8,14H2,1-2H3,(H,15,17)
InChIKeyYTVDMNOQCMKADK-UHFFFAOYSA-N
XLogP0.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.64
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 5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide (CID 63573722) is 5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide is CC1CCN(CC2CCC(C(=O)NN)O2)C(C)C1.
What is the InChIKey of 5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is YTVDMNOQCMKADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9-5-6-16(10(2)7-9)8-11-3-4-12(18-11)13(17)15-14/h9-12H,3-8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide?
5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 255.36 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63573722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).