1-methylpiperidine-2-carbohydrazide

C7H15N3O — CID 45122757

IUPAC1-methylpiperidine-2-carbohydrazide
SMILESCN1CCCCC1C(=O)NN
InChIInChI=1S/C7H15N3O/c1-10-5-3-2-4-6(10)7(11)9-8/h6H,2-5,8H2,1H3,(H,9,11)
InChIKeySCDYQYASUAZAMO-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.54
Rot. Bonds1

About 1-methylpiperidine-2-carbohydrazide

1-methylpiperidine-2-carbohydrazide (PubChem CID 45122757) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-methylpiperidine-2-carbohydrazide.

Molecular Properties

Compound Name1-methylpiperidine-2-carbohydrazide
PubChem CID45122757
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-methylpiperidine-2-carbohydrazide
SMILESCN1CCCCC1C(=O)NN
InChIInChI=1S/C7H15N3O/c1-10-5-3-2-4-6(10)7(11)9-8/h6H,2-5,8H2,1H3,(H,9,11)
InChIKeySCDYQYASUAZAMO-UHFFFAOYSA-N
XLogP-0.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.54
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 1-methylpiperidine-2-carbohydrazide?
The IUPAC name of 1-methylpiperidine-2-carbohydrazide (CID 45122757) is 1-methylpiperidine-2-carbohydrazide.
What is the SMILES notation for 1-methylpiperidine-2-carbohydrazide?
The canonical SMILES for 1-methylpiperidine-2-carbohydrazide is CN1CCCCC1C(=O)NN.
What is the InChIKey of 1-methylpiperidine-2-carbohydrazide?
The InChIKey is SCDYQYASUAZAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-10-5-3-2-4-6(10)7(11)9-8/h6H,2-5,8H2,1H3,(H,9,11).
What are the key properties of 1-methylpiperidine-2-carbohydrazide?
1-methylpiperidine-2-carbohydrazide has a molecular weight of 157.22 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-2-carbohydrazide is sourced from PubChem (CID 45122757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).