4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide

C13H25N3O — CID 138688360

IUPAC4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c14-15-13(17)12-6-4-11(5-7-12)10-16-8-2-1-3-9-16/h11-12H,1-10,14H2,(H,15,17)
InChIKeyPAZJGQRHZMUEAU-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.27
Rot. Bonds3

About 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide

4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide (PubChem CID 138688360) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide
PubChem CID138688360
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCC(CN2CCCCC2)CC1
InChIInChI=1S/C13H25N3O/c14-15-13(17)12-6-4-11(5-7-12)10-16-8-2-1-3-9-16/h11-12H,1-10,14H2,(H,15,17)
InChIKeyPAZJGQRHZMUEAU-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.27
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'}

Analyze 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide (CID 138688360) is 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide is NNC(=O)C1CCC(CN2CCCCC2)CC1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide?
The InChIKey is PAZJGQRHZMUEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-15-13(17)12-6-4-11(5-7-12)10-16-8-2-1-3-9-16/h11-12H,1-10,14H2,(H,15,17).
What are the key properties of 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide?
4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide has a molecular weight of 239.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 138688360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).