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

C16H23N3O3 — CID 54794063

IUPAC1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
SMILESCc1ccc(OCC(=O)N2CCC(C(=O)NN)CC2)cc1C
InChIInChI=1S/C16H23N3O3/c1-11-3-4-14(9-12(11)2)22-10-15(20)19-7-5-13(6-8-19)16(21)18-17/h3-4,9,13H,5-8,10,17H2,1-2H3,(H,18,21)
InChIKeyJZQUCEDZEIBWRW-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.91
Rot. Bonds4

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

1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 54794063) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID54794063
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
SMILESCc1ccc(OCC(=O)N2CCC(C(=O)NN)CC2)cc1C
InChIInChI=1S/C16H23N3O3/c1-11-3-4-14(9-12(11)2)22-10-15(20)19-7-5-13(6-8-19)16(21)18-17/h3-4,9,13H,5-8,10,17H2,1-2H3,(H,18,21)
InChIKeyJZQUCEDZEIBWRW-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'}

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Related Compounds

1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794164
1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
CID 63575915
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(3,4-dimethylphenoxy)acetate
CID 23905536
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
2-(3,4-dimethylphenoxy)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone
CID 136527045
N-(2-aminoethyl)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxamide
CID 119480111
1-[(3S)-3-aminopiperidin-1-yl]-2-(3,4-dimethylphenoxy)ethanone
CID 124628173
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548368
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide (CID 54794063) is 1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide is Cc1ccc(OCC(=O)N2CCC(C(=O)NN)CC2)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is JZQUCEDZEIBWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-3-4-14(9-12(11)2)22-10-15(20)19-7-5-13(6-8-19)16(21)18-17/h3-4,9,13H,5-8,10,17H2,1-2H3,(H,18,21).
What are the key properties of 1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide?
1-[2-(3,4-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-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 54794063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).