2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide

C11H23N3O2 — CID 103229437

IUPAC2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)N1CC(C)CC(C)C1
InChIInChI=1S/C11H23N3O2/c1-8-4-9(2)6-14(5-8)10(7-16-3)11(15)13-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyICBCNJYHHAFLRR-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.03
Rot. Bonds4

About 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide

2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide (PubChem CID 103229437) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide
PubChem CID103229437
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide
SMILESCOCC(C(=O)NN)N1CC(C)CC(C)C1
InChIInChI=1S/C11H23N3O2/c1-8-4-9(2)6-14(5-8)10(7-16-3)11(15)13-12/h8-10H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyICBCNJYHHAFLRR-UHFFFAOYSA-N
XLogP-0.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.03
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 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide 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 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide (CID 103229437) is 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide is COCC(C(=O)NN)N1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide?
The InChIKey is ICBCNJYHHAFLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8-4-9(2)6-14(5-8)10(7-16-3)11(15)13-12/h8-10H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide?
2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide has a molecular weight of 229.32 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-3-methoxypropanehydrazide is sourced from PubChem (CID 103229437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).