1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide

C14H18IN3O3 — CID 63575915

IUPAC1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COc2ccc(I)cc2)CC1
InChIInChI=1S/C14H18IN3O3/c15-11-1-3-12(4-2-11)21-9-13(19)18-7-5-10(6-8-18)14(20)17-16/h1-4,10H,5-9,16H2,(H,17,20)
InChIKeyMQMBRZKTCLCLHR-UHFFFAOYSA-N
MW403.22 g/mol
LogP0.90
Rot. Bonds4

About 1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide

1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 63575915) has the molecular formula C14H18IN3O3 and a molecular weight of 403.22 g/mol. Its IUPAC name is 1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID63575915
Molecular FormulaC14H18IN3O3
Molecular Weight403.22 g/mol
Exact Mass403.04
IUPAC Name1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)COc2ccc(I)cc2)CC1
InChIInChI=1S/C14H18IN3O3/c15-11-1-3-12(4-2-11)21-9-13(19)18-7-5-10(6-8-18)14(20)17-16/h1-4,10H,5-9,16H2,(H,17,20)
InChIKeyMQMBRZKTCLCLHR-UHFFFAOYSA-N
XLogP0.90
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.22
LogP ≤ 50.90
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063
1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794164
1-[2-(4-iodophenoxy)acetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974467
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
1-[2-(4-bromophenoxy)acetyl]piperidine-3-carbohydrazide
CID 54793928
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631254
2-(4-iodophenoxy)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 55461347
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-(2-ethoxyacetyl)piperidine-4-carbohydrazide
CID 63587204
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
CID 2462231
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide (CID 63575915) is 1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)COc2ccc(I)cc2)CC1.
What is the InChIKey of 1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is MQMBRZKTCLCLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3O3/c15-11-1-3-12(4-2-11)21-9-13(19)18-7-5-10(6-8-18)14(20)17-16/h1-4,10H,5-9,16H2,(H,17,20).
What are the key properties of 1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide?
1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 403.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-iodophenoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63575915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).