1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide

C16H23N3O3 — CID 54794164

IUPAC1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)N2CCC(C(=O)NN)CC2)c1
InChIInChI=1S/C16H23N3O3/c1-11-7-12(2)9-14(8-11)22-10-15(20)19-5-3-13(4-6-19)16(21)18-17/h7-9,13H,3-6,10,17H2,1-2H3,(H,18,21)
InChIKeyCIJCRIURNUIYEB-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.91
Rot. Bonds4

About 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide

1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 54794164) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID54794164
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)N2CCC(C(=O)NN)CC2)c1
InChIInChI=1S/C16H23N3O3/c1-11-7-12(2)9-14(8-11)22-10-15(20)19-5-3-13(4-6-19)16(21)18-17/h7-9,13H,3-6,10,17H2,1-2H3,(H,18,21)
InChIKeyCIJCRIURNUIYEB-UHFFFAOYSA-N
XLogP0.91
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.91
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 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide 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

1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
CID 63575915
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
(3R)-1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 51518691
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
methyl 1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 94870315
1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63590293
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide (CID 54794164) is 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide is Cc1cc(C)cc(OCC(=O)N2CCC(C(=O)NN)CC2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is CIJCRIURNUIYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-7-12(2)9-14(8-11)22-10-15(20)19-5-3-13(4-6-19)16(21)18-17/h7-9,13H,3-6,10,17H2,1-2H3,(H,18,21).
What are the key properties of 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide?
1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 305.38 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 54794164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).