3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide

C14H29N3O — CID 79409752

IUPAC3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide
SMILESCCC1(CC)CCN(C(C)C(C)C(=O)NN)CC1
InChIInChI=1S/C14H29N3O/c1-5-14(6-2)7-9-17(10-8-14)12(4)11(3)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyCKZFCTHPAADYOK-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.90
Rot. Bonds5

About 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide

3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide (PubChem CID 79409752) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide
PubChem CID79409752
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide
SMILESCCC1(CC)CCN(C(C)C(C)C(=O)NN)CC1
InChIInChI=1S/C14H29N3O/c1-5-14(6-2)7-9-17(10-8-14)12(4)11(3)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyCKZFCTHPAADYOK-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.90
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 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4,4-diethylpiperidin-1-yl)-3-methylbutanehydrazide
CID 55212673
2-methyl-3-thiomorpholin-4-ylbutanehydrazide
CID 79408786
methyl 2-(4,4-diethylpiperidin-1-yl)propanoate
CID 63158633
2-methyl-3-(1,4-thiazepan-4-yl)butanehydrazide
CID 79408484
3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide
CID 79409006
2-[1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)piperidin-4-yl]acetamide
CID 79409446
3-(4,4-diethylpiperidin-1-yl)-N-ethylbutan-2-amine
CID 55165460
3-(2-ethylmorpholin-4-yl)-2-methylbutanehydrazide
CID 79408999
3-(3,5-dimethylpiperidin-1-yl)-2-methylbutanehydrazide
CID 79409641
methyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylbutanoate
CID 81097557
2-(4,4-diethylpiperidin-1-yl)-4-methylpentan-1-amine
CID 63156923
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanamide
CID 64705176

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide (CID 79409752) is 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide is CCC1(CC)CCN(C(C)C(C)C(=O)NN)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide?
The InChIKey is CKZFCTHPAADYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-5-14(6-2)7-9-17(10-8-14)12(4)11(3)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide?
3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide has a molecular weight of 255.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethylpiperidin-1-yl)-2-methylbutanehydrazide is sourced from PubChem (CID 79409752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).