4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide

C13H24N4O2 — CID 154638629

IUPAC4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide
SMILESCN1CCN(C(=O)C2CCC(C(=O)NN)CC2)CC1
InChIInChI=1S/C13H24N4O2/c1-16-6-8-17(9-7-16)13(19)11-4-2-10(3-5-11)12(18)15-14/h10-11H,2-9,14H2,1H3,(H,15,18)
InChIKeyLZDVMKABZALCFT-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.44
Rot. Bonds2

About 4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide

4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide (PubChem CID 154638629) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide
PubChem CID154638629
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide
SMILESCN1CCN(C(=O)C2CCC(C(=O)NN)CC2)CC1
InChIInChI=1S/C13H24N4O2/c1-16-6-8-17(9-7-16)13(19)11-4-2-10(3-5-11)12(18)15-14/h10-11H,2-9,14H2,1H3,(H,15,18)
InChIKeyLZDVMKABZALCFT-UHFFFAOYSA-N
XLogP-0.44
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.44
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'}

Analyze 4-(4-methylpiperazine-1-carbonyl)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-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide (CID 154638629) is 4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide is CN1CCN(C(=O)C2CCC(C(=O)NN)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide?
The InChIKey is LZDVMKABZALCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-16-6-8-17(9-7-16)13(19)11-4-2-10(3-5-11)12(18)15-14/h10-11H,2-9,14H2,1H3,(H,15,18).
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide?
4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide has a molecular weight of 268.36 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carbohydrazide is sourced from PubChem (CID 154638629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).