3-methoxy-3-methylpiperidine-1-carbohydrazide

C8H17N3O2 — CID 107394148

IUPAC3-methoxy-3-methylpiperidine-1-carbohydrazide
SMILESCOC1(C)CCCN(C(=O)NN)C1
InChIInChI=1S/C8H17N3O2/c1-8(13-2)4-3-5-11(6-8)7(12)10-9/h3-6,9H2,1-2H3,(H,10,12)
InChIKeyQOVLTGLQOHIBGU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.07
Rot. Bonds1

About 3-methoxy-3-methylpiperidine-1-carbohydrazide

3-methoxy-3-methylpiperidine-1-carbohydrazide (PubChem CID 107394148) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-methoxy-3-methylpiperidine-1-carbohydrazide.

Molecular Properties

Compound Name3-methoxy-3-methylpiperidine-1-carbohydrazide
PubChem CID107394148
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name3-methoxy-3-methylpiperidine-1-carbohydrazide
SMILESCOC1(C)CCCN(C(=O)NN)C1
InChIInChI=1S/C8H17N3O2/c1-8(13-2)4-3-5-11(6-8)7(12)10-9/h3-6,9H2,1-2H3,(H,10,12)
InChIKeyQOVLTGLQOHIBGU-UHFFFAOYSA-N
XLogP0.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxy-3-methylpiperidine-1-carbohydrazide?
The IUPAC name of 3-methoxy-3-methylpiperidine-1-carbohydrazide (CID 107394148) is 3-methoxy-3-methylpiperidine-1-carbohydrazide.
What is the SMILES notation for 3-methoxy-3-methylpiperidine-1-carbohydrazide?
The canonical SMILES for 3-methoxy-3-methylpiperidine-1-carbohydrazide is COC1(C)CCCN(C(=O)NN)C1.
What is the InChIKey of 3-methoxy-3-methylpiperidine-1-carbohydrazide?
The InChIKey is QOVLTGLQOHIBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-8(13-2)4-3-5-11(6-8)7(12)10-9/h3-6,9H2,1-2H3,(H,10,12).
What are the key properties of 3-methoxy-3-methylpiperidine-1-carbohydrazide?
3-methoxy-3-methylpiperidine-1-carbohydrazide has a molecular weight of 187.24 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylpiperidine-1-carbohydrazide is sourced from PubChem (CID 107394148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).