N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide

C14H19IN2O2 — CID 63876197

IUPACN-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide
SMILESCc1ccc(NC(=O)COC2CCNCC2)cc1I
InChIInChI=1S/C14H19IN2O2/c1-10-2-3-11(8-13(10)15)17-14(18)9-19-12-4-6-16-7-5-12/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyZHWPBBYGFVKSMR-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.31
Rot. Bonds4

About N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide

N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide (PubChem CID 63876197) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide
PubChem CID63876197
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC NameN-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide
SMILESCc1ccc(NC(=O)COC2CCNCC2)cc1I
InChIInChI=1S/C14H19IN2O2/c1-10-2-3-11(8-13(10)15)17-14(18)9-19-12-4-6-16-7-5-12/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyZHWPBBYGFVKSMR-UHFFFAOYSA-N
XLogP2.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]-2-piperidin-4-yloxyacetamide
CID 115377256
N-(4-fluorophenyl)-2-piperidin-4-yloxyacetamide
CID 39062765
N-(4-fluoro-3-methoxyphenyl)-2-piperidin-4-yloxyacetamide
CID 114839705
2-piperidin-4-yloxy-N-(2,4,6-trimethylphenyl)acetamide
CID 39062816
2-piperidin-4-yloxy-N-(4-propylphenyl)acetamide
CID 63877579
4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid
CID 63876200
2-piperidin-4-yloxy-N-(4-propoxyphenyl)acetamide
CID 63876932
N-(4,6-dimethylpyrimidin-2-yl)-2-piperidin-4-yloxyacetamide
CID 55250898
3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875683
N-(4-methyl-1H-pyrazol-5-yl)-2-piperidin-4-yloxyacetamide
CID 113433668
N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
CID 63876721
2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 18287456

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide (CID 63876197) is N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide is Cc1ccc(NC(=O)COC2CCNCC2)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide?
The InChIKey is ZHWPBBYGFVKSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-10-2-3-11(8-13(10)15)17-14(18)9-19-12-4-6-16-7-5-12/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide?
N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide has a molecular weight of 374.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 63876197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).